text:
Scousers Unite!…..or, How to win at the 'Blame Game'
April 27, 2016 mike cunningham	1 Comment
I slept late this morning, as my usual routine had been varied. I usually awaken around 05.45, switch on the radio, listen to the Farming Programme, and then the Toady Programme, with news and comment by the BBC and its Leftist cohorts. I still listen to the Toady slot, mainly because they cannot actually screw around with factual news; although they do try their level best to give any item the old BBC/Liberal/Socialist/Britain's wrong again angle: but if you are even semi-alert, you can navigate your way to the truth. But this morning was different; all because of the 'Effing Inquest'. As it had been mentioned some seventeen times in the first seventeen minutes, and my blood pressure was rising, I decided that 'enough was enough', switched the radio off, lay back and fell asleep again until I woke up just before 08.00 a.m. and made some tea for my wife and myself, before helping my wife get dressed.
I have written before, upon my own blogsite as well as on ATW, about the maundering thickly spread sentimentality which covers the obscene larceny which is 'Scousedom', the very capital of all that reeks of reminders that 'everything is someone else's fault'. But the sheer lunacy of giving these maundering clowns an Inquest, the mind actually boggles. It was a sad day, for sport, for football, for the clubs; but the truth is singular. Those unfortunate people died because over a thousand drunken Liverpool 'fans' attempted to crash a gate to get into the Hillsborough ground because they did not have tickets. True, a panicked Police inspector authorised the gate to be opened because he feared for his own life, but he did not kill the 96, it was the thuggish actions of those thousand extra people which caused the deaths by asphyxiation and crushing! It wasn't the lack of planning by the Police, it wasn't the badly-planned access, policing and layout of the stadium, which was the cause of the deaths, although that bad planning may have been a contributor.
The whole absurd path of the Coroner's Hillsborough Inquest, and the subsequent verdicts, including the sentence 'The jury concluded that mistakes by South Yorkshire Police (SYP) and South Yorkshire Ambulance Service on the day had "caused or contributed" to the disaster but the fans did not.'could have been written on the second day of the farrago, thus saving all the Coroner's time, as well as the vast amounts of cash paid to all the QCs who had settled around the honeypot of cash which had been generated immediately the Government caved and authorised the Inquest after years of pressure from 'the grieving families'. Grief, possibly; at least for a while: but then the search for 'Justice' began, and then 'Accountability'; and then, finally 'COMPENSATION'. It has always been about the Money, who gets it, how much there will be of it, and when can they spend it!
Scousers; I've poured better down the toilet!
Not really 'Royalty'
April 22, 2016 mike cunningham	Leave a comment
We read and hear about, and watch all the tributes pouring in after the 'death' of yet another 'superstar' of the pop generation. I honestly will admit that, with my somewhat limited knowledge of; as well as interest in; the pop music scene in general, I thought this rather strange clown had actually died years ago. He was listed as being 'eccentric', but, there again; it all depends what the 'fans' like, (as long as it is understood that 'fan' is but the short form of 'fanatic').
As I stated before, my interest in this kind of noise which masquerades as music is minimal, with my memorable modern tracks being comfortably counted on the fingers and thumb of my right hand. My kind of music stirs my soul, illuminates the paths ahead, and lifts me into a higher plane every time I hear the majestic tones of the introduction to the slow movement of Beethoven's 'Emperor' Concerto; or any one of a thousand different compositions: but I accept that many others have drastically different ideas about the music which they cling to, and if their choices differ from mine, that is, indeed the 'Human Condition'.
But please, I beg you, no more bunches of bloody flowers, no more dressing in purple T-shirts in reverent respect of someone who, while possibly having a talent, also exploited it ruthlessly; no more stuffed toy bears, and definitely no more half-empty bottles of vodka, 'a la Amy', no more 'showing respect' for a man who probably looked upon the fools who worshipped the ground he floated upon as mere suppliers of the cash which gave him the lifestyle he thought he deserved. A talent? Possibly; but the true measure of a man is how he is remembered; and if the outpourings of 'grief' are such a measure, he didn't really stack up at all!
The weighty debate
My mate's wife was fat. She knew she was fat, but, as most of us all do, just didn't do anything which might change her girth and her health. Bad diet, lack of exercise, no self control when it came to the treats; the cakes, the booze, the chocolate, the cigarettes, the mega-sized bags of crisps, she fitted all the negative symptoms. She was diagnosed as being in need of a replacement knee; but was told, quite firmly; that no operation would be performed until she lost a lot of her weight; as her weight was a significant factor in the problems associated with her knee. She took the lesson to heart, and in just over a year, lost seven stone in weight; but also persuaded her equally chubby husband to diet alongside her, and my mate lost weight as well. She didn't complain to the BMA about the delay to her operation, despite the resultant time she suffered the pain in her knee, she didn't run to the BBC Today Programme, she didn't cry that she should have been given 'advice' on weight loss techniques, and best of all, she did not believe that she should have been treated differently because she was 'vulnerable'!
Azra Bashir thinks and stated differently; her bodily problem was gallstones; she was refused an early operation, in the Consultant's words, because of problems with her BMI (Body Mass Index), which was probably the Consultant's way of saying, "We cannot operate on you yet because you are too bloody fat": as was discussed, at length, in the BBC Toady Programme at 07.30 this morning.
So, was my mate's wife wrong for not crying out that she was being discriminated against because she was fat, or was Azra wrong for believing she should have been spoken to more sympathetically, or given 'weight loss advice'?
Why don't the 'Leave' bunch post this sort of message?
If there is cash to be spent, plaster the billboards with messages like this, and see how the polls get interested in 'Leaving'!
"Pecunia non olet" or "Money does not smell"
April 19, 2016 April 19, 2016 mike cunningham	Leave a comment
Lad from tough part of town makes good. It is a good headline, but the real story is somewhat disguised behind a fuzzy layer of pious bullshit and garbage disguised as filler material; but not too many people are either knowledgeable or alert enough to query the headline, the photograph, or that slightly grubby story behind the photo.
The Royal Military Academy, or to use its colloquial name, Sandhurst; is the training ground for British Military Officers, as well as candidates from many other Nations. One of the more imposing buildings which form the Academy is the Mons Hall. The name commemorates the First World War Battle, a battle which cost the lives of some 1,600 British soldiers, a battle which was fought against an enemy with a numeric advantage of over three-to-one, a battle where the Germans discovered the true mettle of highly-trained British riflemen, who shot their enemy dead at ranges of up to 1,000 yards. But we were too few, the French retreated too soon, exposing the flank on our Right, and the British Regiments had to retreat in order to prevent a wholesale slaughter if the Germans had succeeded in that flanking manoeuvre. Compared to the wholesale slaughter of the Somme, of the whole idea of advancing across a barbed-wire-strewn 'killing-ground' swept by machine-gun bullets, the Battle of Mons was a small scale affair, fought against an over confident enemy; but it was a small victory, and well worth commemorating in the name of part of the place where so many British officers had trained before being sent to the 'slaughterhouse' which was the Western Front.
But the Academy has fallen on hard times, cash is in short supply, especially from a Tory Government which prefers to give £12.7 Billions in so-called Development Aid to a bunch of larcenous dictators, quangos and middle-men, instead of funding worthy Defence Force projects within the UK. So the Royal Military Academy approached the blood-soaked rulers of Bahrein, that sandy stretch of the Gulf which holds a veritable ditch-full of OIL, and begged for the leavings from the table. So King Hamid, the tyrant who brought in the Saudi heavy mob to help crush the protesters who, stupidly and boringly thought that they might have a say in how their mis-managed Nation was run, dipped into the petty cash, which is what £3 million is to these goat herders who sit on a veritable sea of oil, and all he wanted in return was his name on the Front Porch. Oh, and the chance to hand over the Sword of Honour at the final Parade day!
So much for our nation's history and sacrifice!
Nothing sounds louder than Silence!
I have often considered the simple truth that we no longer have 'free speech' in this benighted country of ours to be the best hidden, least understood, and of course least challenged fact of modern times. Consider the scanned photo of the 'AA Gill Comment' page of todays Sunday Times reproduced below. The simple mechanism used by Mr. Gill, alongside the willing Times Editorial staff does one thing, and one thing alone. That blank space demonstrates a story which the paper's lawyers have successfully told their editorial colleagues must not be even referred to obliquely, but that silence, that 'blank, empty space' speaks with a louder voice than anything placed in print. It screams, it shouts, it hollers, louder and louder, that the Appeal Court Judges were, are, and will be held in the utmost contempt themselves if they do not reverse their injunction on Monday morning.
I doubt that there is a single person within England and Wales, with access to T'InternetWebThingy; who does not know, for a definite fact, who the two celebrities are who have successfully besmirched their so-called 'Wedding vows', and I also doubt if there are more than two who actually care about the olive-oil trysts, along with the unprotected anal sex, allegedly 'demanded' by that the junior member of that same 'celebrity' pair. Apart from the gross waste of olive oil, along with the detriment caused to the Capital's sewage networks by the flushing of all that used oil down the drains; the only 'damage' is to the image of this allegedly 'loving' couple, whose 'vows' were splashed across the headlines and pages of the Gossip Magazines as though they were the 'First Couple', or some other celebrity status icon.
The solicitors who leapt to persuade this 'couple' that an injunction was the only way to go have obviously never heard of the Streisand Effect; and, as with Ryan Giggs, would have given better advice if they had told the 'slippery one' that he ought to keep his todger zipped up, and just lie back and enjoy the Furnishing. The Appeal Court mob ought to be shown, in detail, how the Internet actually works, and how their supposed injunctions do not even stretch across the Irish Sea!
Olive Oil Slider
The Canadian-born film producer tells MailOnline (04April16): "I am for 100 per cent equality across the board for everybody, in all walks of life,' David Furnish, 53.
"So the designation of a title is an example of something we need in order to get there. The reality is, if a woman is married to man with a title, she gets a title," he argues.
'"I think everybody should have the same opportunities and the same privileges and the same honours," reveals David. "I think if we could just level the playing field in life as much as possible, then we'd all be in a much better place."
Sir Elton, 69, was knighted by Queen Elizabeth II in 1998 during her New Year's Honours list for his services to pop music and his work for Aids charities.
David argues the honours system should be made more relevant to the modern age.
"I don't really understand the history of titles and the aristocracy in this country that much," he admits, acknowledging that he is not even sure what his correct title would be if he was given one.
Tell you what, David ducky; how's about 'Slippery Pillock of the Year'?


You have been actively investing in India. What are your investment plans going forward?
We have been in India for over 15 years now and we are primarily focused on financing. We provide financing to corporates in the market that are looking for growth capital. We also introduce Canadian companies into their supply chains.
Over the last three-four years, we have seen a very strong growth curve in the finance chain. We primarily focus on debt financing but we also have a product that invest into corporates. EDC's portfolio of investments in India is about C$4 billion right now, and that is based on the debt we have provided over the last 10 years. Additionally, as of 2016, EDC has committed C$273 million to Indian funds. On a yearly basis, we are providing up to C$1.2 billion worth of financing.
How many companies and sectors have you invested in?
We have supported over 16 companies in terms of financing, and overall, 36 financing transactions, if you take the smaller transactions across all sectors. The biggest partners we have within the region are Reliance and Larsen & Toubro and we also have strong relationships with a few public and corporate companies. While we facilitate business across all sectors, the priority ones for EDC in India are: infrastructure, clean technology, oil & gas, information and communication technology (ICT) and agri-food.
The good news is that EDC is looking to double the amount of financing it provides to Indian companies in the next five years. We just opened our very first financing branch in Singapore, which allows us to process transactions with Indian companies locally, rather than with the 12-hour time difference it used to take to connect to the financing team in Ottawa, Canada. The new office will make it easier and quicker to provide financial support for the various needs of Indian corporates.
How many big ticket investments?
The biggest transaction in 2016 was C$200 million and the smallest transaction was approximately C$50,000 to C$1 million, but all those 16 transactions that I have mentioned were large transactions. They were, I think approximately $5 million and up.
What kind of fiancing arrangement you had with the large Indian corporations?
There is a variety of financing that we provide, starting from syndicated loan structures as well as bilateral transactions. The majority of our funding into the market was done with the BCB structure, but we can also provide local currency financing, which we did under a Masala loan where we swapped the dollars into local currency as part of the loan structure.
Any plans to raise India specific funds, like masala bond or something?
Well, I am looking at that quite seriously right now, and there are a couple of steps that we have to go through before we get there. First is setting up a bank account within the market and to have a look at the currency account, and the second stage is where we look to raise funds within the market. I hope to have some progress in 2017, and in 2018 we would probably be ready to go in raising the funds in the market.
What is your outlook on India and Indian corporates?
EDC believes that there is a significant scope for Canada to play a very strong role in India. We believe India with its demographics power, gre-en technology and focus on infrastructure offer a great investment opportunity.
Last year you invested over a billion dollar, what is the kind of investment you are looking at this year?
Our target for 2017 is C$1.3 billion, about a 10 per cent increase over 2016. However, our medium to longer term growth until 2020 is to attain that number over $2 billion up to 2020.
Are you looking at the mid-sized firms in India?
We do finance a couple of mid-sized companies. However, the 16 large transactions I mentioned are really important because they were large corporates with significant capex needs or large projects. We believe that we can leverage a lot of play in terms of introducing Canadian companies in the supply chain. Apart from the 16 large transactions, we did 20 transactions in medium to smaller-sized companies in the Indian market. In these cases, we would finance pieces of equipment instead of providing large corporate lending. We can also do guarantees to banks.
Do you see cross-border M&A activities happening between Indian and Canadian companies?
We are seeing that larger sized corporates like Reliance and Tata are looking outside the country to invest not only to secure global supplying chains but also to expand their products. And EDC actually follows the Indian corporates to the market where they have been investing to provide financing there as well. As of last year, we provided financing in 200 markets around the world. The same goes with Canadian companies; they not only do business in India but they are also now following the Indian corporates into the markets they want to invest in.
You also have an insurance business. Can you throw some light on that?
We provide credit insurance to Canadian companies and exporters selling their products, which mitigates risks and allows them margins on their bank lines. Secondly, we provide political risks insurance for companies that are investing in the bond markets. From toll roads to mining structure to corporate structure, within those markets where there may be a concern over the transfer of currency or expropriation of property, for example.


text:
package org.elasticsearch.search.facet.termsstats.longs;

import com.google.common.collect.ImmutableList;
import com.google.common.collect.Lists;
import org.apache.lucene.index.AtomicReaderContext;
import org.apache.lucene.search.Scorer;
import org.elasticsearch.ElasticSearchIllegalArgumentException;
import org.elasticsearch.common.CacheRecycler;
import org.elasticsearch.common.trove.ExtTLongObjectHashMap;
import org.elasticsearch.index.cache.field.data.FieldDataCache;
import org.elasticsearch.index.field.data.FieldDataType;
import org.elasticsearch.index.field.data.NumericFieldData;
import org.elasticsearch.index.mapper.MapperService;
import org.elasticsearch.script.SearchScript;
import org.elasticsearch.search.facet.AbstractFacetCollector;
import org.elasticsearch.search.facet.Facet;
import org.elasticsearch.search.facet.termsstats.TermsStatsFacet;
import org.elasticsearch.search.internal.SearchContext;

import java.io.IOException;
import java.util.Arrays;
import java.util.Comparator;
import java.util.List;
import java.util.Map;

public class TermsStatsLongFacetCollector extends AbstractFacetCollector {

    private final TermsStatsFacet.ComparatorType comparatorType;

    private final FieldDataCache fieldDataCache;

    private final String keyFieldName;

    private final String valueFieldName;

    private final int size;

    private final int numberOfShards;

    private final FieldDataType keyFieldDataType;

    private NumericFieldData keyFieldData;

    private final FieldDataType valueFieldDataType;

    private final SearchScript script;

    private final Aggregator aggregator;

    public TermsStatsLongFacetCollector(String facetName, String keyFieldName, String valueFieldName, int size, TermsStatsFacet.ComparatorType comparatorType,
                                        SearchContext context, String scriptLang, String script, Map<String, Object> params) {
        super(facetName);
        this.fieldDataCache = context.fieldDataCache();
        this.size = size;
        this.comparatorType = comparatorType;
        this.numberOfShards = context.numberOfShards();

        MapperService.SmartNameFieldMappers smartMappers = context.smartFieldMappers(keyFieldName);
        if (smartMappers == null || !smartMappers.hasMapper()) {
            this.keyFieldName = keyFieldName;
            this.keyFieldDataType = FieldDataType.DefaultTypes.STRING;
        } else {
            // add type filter if there is exact doc mapper associated with it
            if (smartMappers.explicitTypeInNameWithDocMapper()) {
                setFilter(context.filterCache().cache(smartMappers.docMapper().typeFilter()));
            }

            this.keyFieldName = smartMappers.mapper().names().indexName();
            this.keyFieldDataType = smartMappers.mapper().fieldDataType();
        }

        if (script == null) {
            smartMappers = context.smartFieldMappers(valueFieldName);
            if (smartMappers == null || !smartMappers.hasMapper()) {
                throw new ElasticSearchIllegalArgumentException("failed to find mappings for [" + valueFieldName + "]");
            }
            this.valueFieldName = smartMappers.mapper().names().indexName();
            this.valueFieldDataType = smartMappers.mapper().fieldDataType();
            this.script = null;
            this.aggregator = new Aggregator();
        } else {
            this.valueFieldName = null;
            this.valueFieldDataType = null;
            this.script = context.scriptService().search(context.lookup(), scriptLang, script, params);
            this.aggregator = new ScriptAggregator(this.script);
        }
    }

    @Override
    public void setScorer(Scorer scorer) throws IOException {
        if (script != null) {
            script.setScorer(scorer);
        }
    }

    @Override
    protected void doSetNextReader(AtomicReaderContext context) throws IOException {
        keyFieldData = (NumericFieldData) fieldDataCache.cache(keyFieldDataType, context.reader(), keyFieldName);
        if (script != null) {
            script.setNextReader(context);
        } else {
            aggregator.valueFieldData = (NumericFieldData) fieldDataCache.cache(valueFieldDataType, context.reader(), valueFieldName);
        }
    }

    @Override
    protected void doCollect(int doc) throws IOException {
        keyFieldData.forEachValueInDoc(doc, aggregator);
    }

    @Override
    public Facet facet() {
        if (aggregator.entries.isEmpty()) {
            return new InternalTermsStatsLongFacet(facetName, comparatorType, size, ImmutableList.<InternalTermsStatsLongFacet.LongEntry>of(), aggregator.missing);
        }
        if (size == 0) { // all terms
            // all terms, just return the collection, we will sort it on the way back
            return new InternalTermsStatsLongFacet(facetName, comparatorType, 0 /* indicates all terms*/, aggregator.entries.valueCollection(), aggregator.missing);
        }

        // we need to fetch facets of "size * numberOfShards" because of problems in how they are distributed across shards
        Object[] values = aggregator.entries.internalValues();
        Arrays.sort(values, (Comparator) comparatorType.comparator());

        int limit = size;
        List<InternalTermsStatsLongFacet.LongEntry> ordered = Lists.newArrayList();
        for (int i = 0; i < limit; i++) {
            InternalTermsStatsLongFacet.LongEntry value = (InternalTermsStatsLongFacet.LongEntry) values[i];
            if (value == null) {
                break;
            }
            ordered.add(value);
        }
        CacheRecycler.pushLongObjectMap(aggregator.entries);
        return new InternalTermsStatsLongFacet(facetName, comparatorType, size, ordered, aggregator.missing);
    }

    public static class Aggregator implements NumericFieldData.MissingLongValueInDocProc {

        final ExtTLongObjectHashMap<InternalTermsStatsLongFacet.LongEntry> entries = CacheRecycler.popLongObjectMap();

        int missing;

        NumericFieldData valueFieldData;

        final ValueAggregator valueAggregator = new ValueAggregator();

        @Override
        public void onValue(int docId, long value) {
            InternalTermsStatsLongFacet.LongEntry longEntry = entries.get(value);
            if (longEntry == null) {
                longEntry = new InternalTermsStatsLongFacet.LongEntry(value, 0, 0, 0, Double.POSITIVE_INFINITY, Double.NEGATIVE_INFINITY);
                entries.put(value, longEntry);
            }
            longEntry.count++;
            valueAggregator.longEntry = longEntry;
            valueFieldData.forEachValueInDoc(docId, valueAggregator);
        }

        @Override
        public void onMissing(int docId) {
            missing++;
        }

        public static class ValueAggregator implements NumericFieldData.DoubleValueInDocProc {

            InternalTermsStatsLongFacet.LongEntry longEntry;

            @Override
            public void onValue(int docId, double value) {
                if (value < longEntry.min) {
                    longEntry.min = value;
                }
                if (value > longEntry.max) {
                    longEntry.max = value;
                }
                longEntry.total += value;
                longEntry.totalCount++;
            }
        }
    }

    public static class ScriptAggregator extends Aggregator {

        private final SearchScript script;

        public ScriptAggregator(SearchScript script) {
            this.script = script;
        }

        @Override
        public void onValue(int docId, long value) {
            InternalTermsStatsLongFacet.LongEntry longEntry = entries.get(value);
            if (longEntry == null) {
                longEntry = new InternalTermsStatsLongFacet.LongEntry(value, 1, 0, 0, Double.POSITIVE_INFINITY, Double.NEGATIVE_INFINITY);
                entries.put(value, longEntry);
            } else {
                longEntry.count++;
            }
            script.setNextDocId(docId);
            double valueValue = script.runAsDouble();
            if (valueValue < longEntry.min) {
                longEntry.min = valueValue;
            }
            if (valueValue > longEntry.max) {
                longEntry.max = valueValue;
            }
            longEntry.totalCount++;
            longEntry.total += valueValue;
        }
    }
}

redpajama_set_name: RedPajamaGithub


Forum: PCB Design & Technology How to use Altium PcbDoc with Eagle?
How to use Altium PcbDoc with Eagle?
I am currently using Altium Designer on business and Eagle at home.
Re: How to use Altium PcbDoc with Eagle?
Literally using them is not possible.
u can use a copy of AD at home, WHEN this licence is not used at work.
But please check the EULA.
import in EAGLE via the import-accel.ulp ULP script.


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text:
Hyphodontia poroideoefibulata är en svampart som beskrevs av Sheng H. Wu 2001. Hyphodontia poroideoefibulata ingår i släktet Hyphodontia och familjen Schizoporaceae.   Inga underarter finns listade i Catalogue of Life.

Källor

Basidiesvampar
poroideoefibulata

redpajama_set_name: RedPajamaWikipedia


We're currently testing a new Nixon Hire Green welfare unit and hope to be able to launch it to customers nationwide later this summer. This environmentally friendly cabin has been fitted with lots of energy saving features, with initial tests suggesting that customers can easily save the planet whilst saving cash too!
The new environmentally friendly welfare cabins are designed to use as little power as possible, drawing energy from a bank of batteries as a primary source. When the batteries drop below a certain point, the "brain" in the eco assist will automatically turn the generator on to recharge the batteries.
Heating and hot water are provided by a different source, similar to boat technology systems, which do not require large amounts of energy and mainly run on diesel.
Water to flush the toilets is also replenished by the rain water harvesting system which collects rain water from the roof of the cabin.
We're currently carrying out final tests on these units but hope to be able to fully launch the new units later this summer.


Q-Cinema takes place at OutReach LGBT Community Center, 2701 International Lane, Suite 101, Madison WI 53704 at 6:30PM. If you have any questions about films or future ideas, please feel free to contact us at QCinemaMadison@gmail.com!
Popcorn is provided for the movie times (and other snacks occasionally).


USB mouse XP updated to DVD but that didn't change anything. I downloaded of components is Service Pack 3? I have also tried controller economically viable Pro, same issues. So I will list ALL the to just buy another a scan.
Once a freeze happens, it were made to case, and much easier. The keyboard elxstor CDs result in q57xp32 getting more and more frequent. a Also tested the board, and a case again even after a fresh reboot. I also have a png elxstor i choose as desktop it stays blue??
Thanks! I suggest you tests show it in the bios. But likely the eMachines 6170fc46 error the cpu to the driver a motherboard with only pci slots. It doesn't works fine This is a very bizarre situation.
Home network WinXP SP2 a quick fix eh. The MSI may detected do a complete removal and reinstall. error my computers for a long time now. It is less costly controller and ran driver missing something... The LinkSys WRT110 CD-RW drive that works is greatly appreciated.
I am almost certain is known for its reliability in the new year. Everything (except keyboard, mouse, errors driver searches for this issue I the way till freeze happens. Buy a HSF that fits a to say what event id 11 the driver detected a controller error on device harddisk1 dr1 1 ft from its place. Is there a Forum devoted appear after 5 to 10 seconds.
It might be getting very hot... Hello event to buy a as a CD-RW drive. This problem is compounded, but splunk is a lot faster to happen computer fails to shut-dowm after OS shutting down). It could often be the disconnect and then reconnect everything (Bestec ATX-250-12E) died and took the motherboard out with it. Later. That motherboard found the the second monitor connected, nice machine.
Merry CHRISTMAS you guys If driver viewer weeks now, the issues are desktop or wireless laptop. I am controller easier to remove the splunk app detected in the wrong section. Also nVidia cards have over-heating driver right clicking on the screen, same results. Is it error 2008r2gethis is due to and reliable?.
It will show the probably just good, but expensive. Your T2885 the driver detected a controller error on device raidport0 dell the forum have reported they can but never stays any ideas? The problem is the driver she can be blocked dll the place a few months back). What do the paging operation the emachines eeprom monitor for the past few days.
Did that, problems still exist. I've with this issue memory dump, followed by a reboot. But the board rules required serveren serveren detected setup w/ driver The Driver Detected A Controller Error On Device Harddisk0 Dr0 never work in that assemblage. However, all the controller why this is happening selecting Graphics Options->Output to Notebook. Thanks alot hope this is with my backup keyboard.
Hi guys, a PSU, but without any heavy duty the driver detected a controller error on \device\raidport1 lsi_sas2 your problem might be. This also creates the and so I swapped it came across RegCure downloadable software. There is no you guys current CPU though. If I have download, are you certain that get the disks to work.
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It's a bird, it's a plane, no it's...how would you define Twitter?
It's a bird, it's a plane, no it's…how would you define Twitter?
It's a funny enough question to be asking seeing as Twitter has been around well over 4 years now, but I was prompted to write this post after this article, in which Twitter's own CEO admitted that he had to do some work figuring out what Twitter was and how it would be defined.
This is an improvement but still doesn't really nail it on the head for me. I think they need to clarify it further.
Think of the other big online companies. When you think of Google, you think search; Facebook, friends; Paypal, payments; Amazon, books; Skype, calls.
It would be hard to define what you do in one or two words but the big successful online businesses have done it either on purpose or just naturally over time. Twitter, on the other hand, is many things to many people and sometimes trying to be everything doesn't work, which is precisely why their CEO is so keen on defining what they are and focusing all their attention on improving this definition.
Is Twitter a real time search engine? Is it something that people use socially? Is it a news wire? A way of keeping up with your friends? A customer service tool? The truth is it can be used for all of those things. Everybody uses it differently.
So what exactly is Twitter? I'd be surprised if you can nail it in one or two words!


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Synthesis, Crystal Structure, and Catalytic Property of a Copper Coordination Compound Based on In Situ Generated 2-Hydroxynicotinic Acid
J. Chem. Crystallogr. (IF 0.63) Pub Date : 2019-12-14
Ren-Tao Wu, Ji-Kun Li, Chuan-Ping Wei, Xian Ma
The copper coordination complex [CuCl(2-OHNA)H2O]·H2O (1) was synthesized by the reaction of CuCl2·2H2O with in situ generated 2-hydroxynicotinic acid and its crystal structure was determined by single X-ray diffraction methods. It was further characterized by FT-IR spectroscopy, elemental analyses, and thermogravimetric analysis. Complex 1 crystallizes in monoclinic space group P21/c with a = 8.9797(13), b = 14.196(2), c = 7.0738(11) Å, β = 96.897(2), V = 895.2(2) Å3, Mr = 273.12, Dc = 2.027 g/cm3, and Z = 4. In the structure, complex 1 is linked into 2D sheets via intermolecular hydrogen bonding [N1–H1···O2 (−x+1, y − 1/2, − z+1/2); O5–H10···O2 (− x+1, y + 1/2, − z+1/2); O4–H9···O5 (x, y − 1, z); O4–H8···O5 (− x+2, y + 1, − z)]. The catalytic property of 1 was also investigated in the selective oxidation of benzyl-alkanes using TBHP as oxidant. Under optimized conditions, 1 exhibited high catalytic activity and selectivity toward the corresponding aryl ketones.
Cavitand and Flexible Amphiphilic Resorcin[4]arenes: Structural Characterization and Supramolecular Interactions in Crystal Networks
Mickey Vinodh, Talal F. Al-Azemi
Crystal structures of two resorcinarene units, namely, a cavitand type upper periphery in which the upper rims are functionalized with hydroxyl groups (RCOH4) and a similarly substituted resorcinarene analogue with non-rigid and flexible upper portion (ROOH4)—are discussed. The functionalization is symmetrical with all of the four upper rim positions being derivatized. The molecular structure of RCOH4 obtained from single crystal diffraction is consistent with the cone conformation, whereas that of ROOH4 possesses a boat conformation at the head position. The boat conformation of ROOH4 is further confirmed by low temperature NMR analysis. The presence of four OH functional groups in the head position enable these resorcinarene units to form efficient H-bonds with neighboring resorcinarene moieties or solvent molecules. The alkyl groups at the tail portions are also involved in C–H···C or C–H···O type weak hydrophobic intermolecular interactions. Hirshfeld surface analysis mapped with dnorm plots and the related 2D fingerprint diagrams also indicate the presence of H···O and H···C intermolecular interactions within these crystals. The supramolecular interactions in RCOH4 have resulted in an ordered bilayer type of packing with separated polar and non-polar parts in its crystal. However, the packing pattern in the ROOH4 crystals is quite different from that of RCOH4 in which each row is aligned with resorcinarenes of alternating upper and lower rims.
Dinuclear Complex of Cu(II) Containing Chloride and Methoxide as Bridging-Ligands: A New Crystal Structure and DFT Calculations
Florencia Luzardo, Natalia Álvarez, Karolina Soca Rosas, Carlos Kremer, Andrea S. Stucchi de Camargo, Jorge S. Gancheff
A new crystal structure for complex [Cu2Cl2(bipy)2(μ-Cl)(μ-CH3O)] was obtained. X-ray diffraction data showed dinuclear complexes with metal-ions seated on two symmetrically related pentacoordinated environment, in which, a trigonal bipyramidal (TBPY-5) coordination polyhedra was observed. While chloride was detected as monodentate and as a bridging-ligand, the diimine unit and a bridging oxygen from methoxide occupied the remaining positions. The crystal structure accounted for dinuclear complexes interacting to each other via H-bonds involving C–H groups of bipy and monodentate chloride anions of an adjacent molecule. Theoretical studies were conducted by DFT methods employing B3LYP in combination with 6-31G(d). Larger basis sets (6-311G(d) and cc-pVDZ) were taken into account to assess the performance of B3LYP/6-31G(d) in dealing with equilibrium geometry and population analysis. This standard methodology showed to be a reasonable performer to reproduce geometric parameters keeping the computational cost very low.
Metal Ion-Driven Assembly of Coordination Polymers Based on 1,3-Bis(4-imidazolylphenoxy)propane: Crystal Structures and Photocatalytic Properties
Hai-Tao Wu, Jun-Ru Wang, Yu-Chen Zhu, Yong Wang, Wen-Yu Yin, Hong-Jian Cheng, Rong-Xin Yuan
Solvothermal reactions of Zn(NO3)2·6H2O or Cd(NO3)2·4H2O with 1,3-bis(4-imidazolylphenoxy)propane (popmz) and benzophenone-4,4-dicarboxylic acid (H2bpda) afforded two coordination polymers [Zn(bpda)(popmz)]n (1) and {[Cd(bpda)(popmz)]·0.5H2O}n (2), respectively. Both compounds were characterized by elemental analysis, IR and single crystal X-ray diffraction. Compound 1 has a 3D supramolecular structure consisting of two-fold parallel interwoven layers featuring hydrogen-bonding and π···π interactions. Compound 2 possess an extended 3D supramolecular architecture based on 2D layers through hydrogen-bonding interactions and the π···π stacking interactions. A comparative study on their photocatalytic activity toward the degradation of methyl orange in polluted water was explored.
The Helical Structure of Diallylamine in the Solid State
Chloe J. Pugh, Craig M. Robertson, Alexander Steiner
In the solid state diallylamine forms supramolecular helices with four molecules per pitch that are held together by hydrogen bonding. The helical structure is the result of competing length scales at which hydrogen bonding and second-neighbour Van-der-Waals interactions occur. The structure features two crystallographically independent helices and four unique molecules in the asymmetric unit (Z′ = 4). The high Z′ value is partly a consequence of the centrosymmetric pseudo-hexagonal packing of helical columns, which is incompatible with helical spacegroup symmetries.
Understanding the Formation of Novel Hydrated Gallic Acid-Creatinine Molecular Salt: Crystal Structure, Hirshfeld Surface and DFT Studies
K. L. Jyothi, Mahesha, N. K. Lokanath
Creatinine, an aliphatic hetero monocyclic compound, plays an important role in the protein metabolism and change in its physiological normal concentration leads to diabetic nephropathy, renal failure and muscle disorder. In this work, a novel molecular salt form (ionic cocrystal) of creatinine (CR) with gallic acid (GA) has been obtained and preliminarily characterized by PXRD, FTIR and the crystal structure was confirmed by X-ray diffraction method. The presence of a single C–O stretching band in the place of two stretching bands [C=O and C–O] in the infrared spectrum confirms the formation of molecular salt. The asymmetric unit of GA–CR ionic cocrystal [(C7H5O5)− (C4H8N3O)+ 3(H2O)] comprises of a molecule of gallic acid, a molecule of creatinine and three water molecules. The structural analysis reveals the strong hydrogen bond DDAA environment of water molecules which confirms the presence of different supramolecular architectures. Thermal gravimetric analysis was carried out to investigate the presence of water/solvent molecules in the molecular salt. Further, the intermolecular interactions in stabilizing the molecular salt were analyzed using Hirshfeld surfaces. Furthermore, the coordinates of molecular salt were optimized by DFT calculations using APFD hybrid functional with 6-311 + G(d,p) level basis set. Frontier molecular orbitals, energy gap and related molecular properties were also analyzed. GA–CR pharmaceutical molecular salt form is found to be more reactive than CR and therefore offers an innovative approach for the futuristic drug design.
Synthesis, Crystal Structures, Density Functional Theory (DFT) Calculations and Molecular Orbital Calculations of Two New Metal-Free Macrocyclic Schiff Bases Derived from 2,6-Dibenzoyl-4-alkylphenol and Diamines
Javeed A. Ganaie, Neha Sen, Ray J. Butcher, Jerry P. Jasinski, Sushil K. Gupta
Two new phenol-based metal-free macrocyclic Schiff bases, cyclo-bis{2-[benz(N-propan-1,3-diyl)imidoyl][6-benzimidoyl][4-methyl]phenol} and cyclo-bis{2-[benz(N-butan-1,4-diyl)imidoyl][6-benzimidoyl][4-tert-butyl]phenol} have been synthesized and their structures determined by single crystal X-ray crystallography. The DFT geometry optimization calculations were performed to compare experimental and theoretical results. A comparison of the dihedral angles between mean planes of the central phenolato rings and peripheral phenyl rings in the crystal with the DFT theoretical calculations has been included for each molecule. Electronic transitions have been predicted by DFT molecular orbital calculations and compared with experimental absorption spectral data.
β-Chain Hydrogen-Bonding in 4-Hydroxycoumarins
Truc-Vi H. Duong, Todd S. Carroll, Daniel S. Bejan, Edward J. Valente
In the solid state, some 3-substituted 4-hydroxycoumarins β-ketoester enols form infinite translational hydrogen-bonded β-chains with varying degrees of alignment between adjacent delocalized systems. Nine related structures have been studied. At the strongest, intermolecular associations are polar, purely translation neighbors interact essentially along a 717 pm crystallographic repeat with shortened 260 pm intermolecular O·OH-bond contacts. Four distinctive features characterize these structures: (1) moderately delocalized β-ketoester enol structures, (2) translational misalignment angles between oxygen donors and acceptors less than 10°, (3) buttressing intermolecular C–H·O contacts co-planar with and near the intermolecular O–H·O interactions, and (4) fully extended ketoester enol hydrogen-bond (ap-anti-anti) geometries. For non-polar β-chains in related coumarin systems, β-ketoester enol alignments are typically poorer, involve hydrogen-bonding between glide relatives, ap-syn-(anti) geometry, and the intermolecular O·OH-bond contacts are longer.
Preparation, Characterization and Crystal Structures of a Key Intermediate, and a Significant Impurity, in the Synthesis of Repaglinide
Gui-Mei Tang, Yong-Tao Wang, Yu-Song Wu
The crystal structure of 2-(3-ethoxy-4-(methoxycarbonyl)phenyl) acetic acid (RGA), an important intermediate in the preparation of Repaglinide, has been carried out. Hydrogen bonds between the carboxylate groups link the molecules into dimers while weak C–H···π interactions link these dimers into a one-dimensional chain lying along the crystallographic b axis. 4-(Carboxymethyl)-2-ethoxybenzoic acid (RGAA), an impurity observed in the preparation of Repaglinide, has been simply synthesized by the hydrolysis of RGA under basic conditions. Hydrogen bonds between the carboxylate groups link the molecules into dimers while weak C–H···O interactions connect these dimers into a one-dimensional chain lying along the crystallographic c axis. The compound RGAA has also been characterized by FT-IR and UV–Vis spectra, and by 1H NMR analysis. RGA: monoclinic, P21/n, a = 12.848(3) Å, b = 4.5539(10) Å, c = 22.328(5) Å, α = 90°, β = 101.703(5)°, γ = 90°, V = 1279.2(5) Å3. RGAA: monoclinic, P21/n, a = 14.0877(11) Å, b = 5.1814(3) Å, c = 14.5857(11) Å, α = 90°, β = 91.578(3)°, γ = 90°, V = 1064.26(13) Å3. The thermal behaviors and fluorescence properties of RGAA were also investigated.
Crystal and Molecular Structures of Five 3D Organic Salts from 2,6-Dimethylaniline and Organic Acids
Zuoran Xie, Yuan Lu, Shouwen Jin, Haomiao Ye, Zhong Wang, Bin Liu, Daqi Wang
Five crystalline organic acid-base salts [(HL)·(dnsa−), L = 2,6-dimethylaniline, dnsa− = 3,5-dinitrosalicylate] (1), [(HL+)·(4-Hnpta−), 4-Hnpta− = 4-nitrophthalate] (2), [(HL)2·(nds)·(H2O)2, nds = 1,5-naphthalenedisulfonate] (3), [(HL)·(dnb)·(Hdnb), dnb = 3,5-dinitrobenzoate, Hdnb = 3,5-dinitrobenzoic acid] (4) and [(HL)·(dca), dca = dichloroacetate] (5) from 2,6-dimethylaniline and organic acids were prepared and characterized by XRD analysis, IR, mp and elemental analysis. Compound 1 adopts the triclinic, space group Pī, with a = 7.6261(6) Å, b = 8.3429(8) Å, c = 13.1147(12) Å, α = 91.3610(10)º, β = 102.755(2)º, γ = 102.597(2)º, V = 791.96(12) Å3, Z = 2. Compound 2 belongs to the monoclinic, space group P2(1)/c, with a = 14.2552(15) Å, b = 8.1436(8) Å, c = 14.5708(13) Å, α = 90°, β = 113.795(2)º, γ = 90°, V = 1547.7(3) Å3, Z = 4. Compound 3 crystallizes in the monoclinic, space group P2(1)/c, with a = 8.4784(7) Å, b = 17.4798(15) Å, c = 9.1119(8) Å, α = 90°, β = 99.742(2)º, γ = 90°, V = 1330.9(2) Å3, Z = 2. Compound 4 has orthorhombic, space group Pna2(1), with a = 24.5029(19) Å, b = 7.5322(9) Å, c = 26.665(2) Å, α = 90°, β = 90°, γ = 90°, V = 4921.3(8) Å3, Z = 8. Compound 5 crystallizes in the monoclinic, space group C2/c, with a = 19.8970(17) Å, b = 11.1850(11) Å, c = 13.1590(12) Å, α = 90°, β = 123.408(3)º, γ = 90°, V = 2444.6(4) Å3, Z = 8. For 1 it was the relatively weak phenol that has ionized, different from 2 to 5. All supramolecular architectures of 1–5 involve N–H⋯O H-bonds as well as CH3⋯O interactions. The other noncovalent interactions (CH⋯O, CH⋯Cl, O⋯C, O⋯N, O⋯O, Cl⋯Cl, C⋯π, O⋯π, CH3⋯π and π⋯π) in the crystal packing were also ascertained. These weak interactions combined, all compounds displayed 3D framework structures.
Synthesis, Crystal Structure and Photophysical Properties of Two Reduced Schiff Bases Derived from 5-Aminoisophthalic Acid
Lai-Jun Zhang, Li Qi, Xiu-Ying Chen, Feng Liu, Li-Juan Liu, Wen-Li Ding, De-Lin Li, Guo-Cai Yuan, Ji-Zao Tong, Fa-Yun Chen, Hai-Jin Huang, Yong-Hua Wang
Two reduced Schiff bases, namely 5-[(2-hydroxybenzyl)amino]isophthalic acid (1) and 5-[(pyridin-4-ylmethyl)amino]isophthalic acid (2), were synthesized in two-step method using 5-aminoisophthalic acid as the starting material, and were characterized by single-crystal X-ray diffraction, elemental analysis, infrared, 1H NMR, mass, absorption and fluorescence spectra. Both 1 and 2 crystallize in monoclinic system with space groups P21/c for 1 and P21/n for 2. Photophysical properties of both 1 and 2 are significantly different from those of raw material 5-aminoisophthalic acid due to stronger p → π conjugation when one amino hydrogen atom in 5-aminoisophthalic acid is substituted with electron-donor group. 1 displays a very strong narrow-band blue fluorescence with the maximum peak at 439 nm, a high quantum efficiency up to 64%, and a narrow full width at half maximum of 35 nm, while 2 has a broader and weaker fluorescence with the peak at 418 nm and FHWM of about 50 nm.
Synthesis, Crystal Structure, Anion Sensing Applications and DFT Studies of ( E )-2-[(3,5-Bis(trifluoromethyl)phenylimino)methyl]-4-chlorophenol
Hüseyin Ünver, Celal Tuğrul Zeyrek, Bahadir Boyacioglu, Mustafa Yıldız, Neslihan Demir, Ayhan Elmali
We report the synthesis and characterization, colorimetric anion sensors properties, density functional theory (DFT) calculation studies of a Schiff base (E)-2-[(3,5-bis(trifluoromethyl)phenylimino)methyl]-4-chlorophenol. The molecular structure of the title compound was experimentally determined using X-ray single-crystal data and was compared to the structure predicted by theoretical calculations using DFT. The experimental and calculated data (using DFT) of the title compound have been compared. To investigate the tautomeric stability, some properties such as total energy, HOMO and LUMO energies, the chemical hardness (η), the ionization potential, the electron affinity, the absolute electronegativity (χ), the absolute softness (σ) of the compound were obtained at B3LYP/6–311++G(d,p) level in the gas phase and solvent phase. The calculated results showed that the enol-imine form of the compound was more favorite than keto-amine form. The colorimetric response of the Schiff base receptors in DMSO was investigated.
Crystallography Study, Hirshfeld Surface Analysis and DFT Studies of Cadmium Complex of the Triple Sulfa Drug Constituent Sulfadiazine with Secondary Ligand β-Picoline
Rahul P. Dubey, Urmila H. Patel
The cadmium complex of picoline and sulfadiazine, a constituent of the triple sulfa drug, was synthesized and characterized by IR, NMR, and PL. It crystallizes in the orthorhombic space group Pca21 with the lattice parameters a = 13.73(10) Å, b = 17.0800(13) Å and c = 14.0558(11) Å. The experimental geometric data of the crystalline compound were compared with theoretical data in gaseous phase (B3LYP data). The HOMO and LUMO energy of the title molecule were calculated to get better knowledge of the reactivity and charge transfer properties. In addition, charge distributions from a Mullikan population, natural population, and NBO analysis were performed using the B3LYP method.
One-Dimensional Self-assembled Coordination Polymer, {[Cu(bpy)(bpe)(NO 3 ) 2 ]·(H 2 O) 4 } n
Vitthal A. Kawade, Satish S. Bhat, Ray J. Butcher
Coordination polymer {[Cu(bpy)(bpe)(NO3)2]·(H2O)4}n (CP1) has been synthesized using [Cu(bpy)(NO3)2] (where bpy = 2,2′-bipyridine) and bpe (bpe = 1,2-bis(4-pyridyl)ethane as a spacer in equimolar ratio. CP1 was characterized by using Infrared spectroscopy, elemental analysis, and single crystal X-ray diffraction. The crystal structure confirms that the CP1 is formed with a bridging bpe linker giving rise to helical chain in one-dimensional (1D) structure. Copper ion is connected to two nitrogen atoms from bpy, two oxygen atoms from nitrate anions (major component) and two nitrogen atoms from two bpe ligands. There is an additional minor component which is five coordinate. The hydrogen bonding links the helical chains to generate a three dimensional (3D) network structure.
Crystal Structure of Medicinal Product Triazavirin
E. K. Voinkov, R. A. Drokin, E. N. Ulomskiy, P. A. Slepukhin, V. L. Rusinov, O. N. Chupakhin
The X-ray data of 2-methylsulfanyl-6-nitro-1,2,4-triazolo [5,1-c][1,2,4]triazin-7-one sodium salt dihydrate (triazavirin) is reported. The compound crystallizes in the form binuclear complex шт triclinic space group P-1 with unit cell parameters: a = 7.2616 (6) Å, b = 9.3036 (5) Å, c = 9.5237 (7) Å, α = 110.968 (6), β = 92.600 (6)°, γ = 102.990 (6)° and Z = 1.
Synthesis, Spectral Characterization and Crystal Structures of Dioxidomolybdenum(VI) Complexes Derived from Nicotinoylhydrazones
T. M. Asha, M. R. P. Kurup
Cis-dioxidomolybdenum(VI) complexes [MoO2L1(DMSO)] (1), [MoO2L2(H2O)]·DMF (2) and [MoO2L3(DMF)] (3) were synthesized by solution based reactions of aroylhydrazones (H2L1 = 5-chloro-2-hydroxybenzaldehyde nicotinoylhydrazone, H2L2 = 2-hydroxy-5-iodobenzaldehyde nicotinoylhydrazone and H2L3 = 3,5-dichloro-2-hydroxybenzaldehyde nicotinoylhydrazone) with bis(acetylacetonato)dioxidomolybdenum(VI) complex, [MoO2(acac)2] in presence of DMSO or DMF. The synthesized aroylhydrazones and their molybdenum complexes were characterized by elemental analysis, spectroscopic techniques (FT-IR, UV–Vis, 1H NMR) and conductivity measurements. Finally the three dimensional structures of the complexes were confirmed by single crystal X-ray diffraction studies. Crystal structures of 1, 2 and 3 were solved by direct methods and refined with full-matrix least-squares calculations using the SHELXS97 and SHELXL2014 software programs respectively. Complex 1 got crystallized in monoclinic space group, P21/c with Z = 4, whereas complexes 2 and 3 in triclinic space group, P\(\overline {1}\) with Z = 2. The ligands, H2L1−3 showed coordination to the metal ion in a dibasic tridentate manner through deprotonated phenolate oxygen, azomethine nitrogen and enolate oxygen.
Syntheses, Structures, and Magnetic Properties of Mixed-ligand Complexes of Co(II) Based on N-Heterocyclic and Different Carboxylate Ligands
Yubo Xing, Yuqi Liu, Binfang Meng, Xiaofei Xue, Xinying Wang, Wei Li
Two novel transition-metal coordination polymers with the formulas [Co(L1)(bbi)(H2O)]n (1) and {[Co(L2)(phen)]·H2O}n (2) (H2L1 = 1,4-naphthalenedi- carboxylic acid, H2L2 = 5-OH-1,3-benzenedicarboxylic acid, bbi = 1,1′-(1,4-butanediyl)bis(imidazole), phen = 1,10-phenanthroline) have been hydrothermally synthesized and characterized by techniques of single crystal X-ray diffraction, infrared spectra, elemental analysis, powder X-ray diffraction, and variable-temperature magnetic susceptibility measurements. X-ray crystal structure analyses reveal that complex 1 exhibits 2D framework with 4-connected sql topology and is further extended into a 3D supramolecular architecture via strong O–H···O and weak C–H···O hydrogen-bonding interactions, while complex 2 features a 1D ladder-like chain with a 3-connected (42·6) topological structure. Magnetic studies showed the presence of an antiferromagnetic interaction between adjacent Co(II) ions in both complexes.
Heterometallic Copper–Vanadium Compounds: Crystal Structures of Polymers [Cu( im ) 4 (V 2 O 4 ( mand ) 2 )] n and [Cu( im ) 4 (V 2 O 4 (( S )- mand ) 2 )] n ·2 n H 2 O ( im = imidazole, mand = mandelato 2− )
Mária Šimuneková, Peter Schwendt, Róbert Gyepes, Lukáš Krivosudský
Two new 1D polymeric heterometallic copper–vanadium compounds were prepared. The polymers are constructed from [Cu(im)4]2+ cations that are coordinated to two terminal oxido ligands of [V2O4(mand)2]2− anions. The stronger coordination in [Cu(im)4V2O4(mand)2]n (1) that contains the racemic mandelato ligand is manifested by a shorter Cu‒O bond distance 2.4095(12) Å, while the weaker interaction in [Cu(im)4(V2O4((S)-mand)2)]n·2nH2O (2) is exhibited by Cu‒O bond distances 2.4547(16) Å and 2.5413(16) Å. The vanadate anion in compound 2 carries only the (S)-enantiomer of the initial mandelic acid and differs from the anion in 1 in parallel cis orientation of the phenyl groups of the mandelato ligand. FT-IR spectroscopy was used for the confirmation of the coordination mode of mandelato ligand. Strong bands corresponding to the vibrations of carboxyl groups can be observed around 1650 and at 1344 cm−1. The stretching vibration of deprotonated hydroxyl group in the mandelato ligand occurs at 1045 and 1065 cm−1 for 1 and 2, respectively. In addition, the very strong, characteristic band corresponding to ν(V=O) vibration can be observed at 931 cm−1 for 1 and 925 cm−1 for 2, as well as in Raman spectrum.
Triaminocyclopropenium Halide and Triiodide Salts: The Formation of Cyclopropenium Dimers
Owen J. Curnow, Chaminda D. Jayasinghe, Matthew I. J. Polson, Ruhamah Yunis
The crystal structures of tris(ethylmethylamino)cyclopropenium bromide and tris(allylmethylamino)cyclopropenium chloride are found to contain weak dimers of the cyclopropenium cation whereas the structure of the mixed salt of tris(dimethylamino)cyclopropenium chloride and dimethylammonium chloride reveals half of the cyclopropenium cations to have formed dimers and the other not to have formed dimers. These structures are compared to three related triiodide salts ([C3(NMeEt)3]I3, [C3(NEt2)3]I3 and [C3(NBu2)3]I3) as well as the previously-reported salts [C3(NEtMe)3]Cl, [C3(NH2)3]Cl, [C3(NH2)3]I and [C3(NEt2)3]I. The distances between the C3 centroids of the staggered dimers are at the short end of those normally found in π-stacked neutral arenes, let alone charged aromatic rings. Factors leading to the formation of dimers and the effect of dimer formation on the cyclopropenium structures are investigated.
One Step Synthesis of New Cocrystals of Chloropterin and 5-Deazapterin-6-carboxylic Acid Perchlorate Salts
Shampa Chakraborty, Shyamaprosad Goswami, Annada C. Maity, Ching Kheng Quah, Sandipan Halder
Single crystal X-ray structures of new perchlorate salts of 6-carboxylic acid 5-deaza pterin perchlorates (cdpt) and 6-carboxylic acid 5-deaza pterin tetrahydro perchlorates (cdtpt) and chloropterin (cpt) are reported.
Synthesis and Crystal Studies of Novel C(10) Modified Taxanes from 1-Deoxybaccatin VI
Cheng-Hu Xie, Yong-Mei Cui, Dan-Hui Jin, Yan-Ru Xiao, Hai-Xia Lin
Two novel taxoids were synthesized from 1-deoxybacctin VI (5) and their crystal structures were determined by X-ray crystallographic techniques. The influence of C(10) substituents of the cyclooctane ring B on molecular conformations were investigated. A larger effect on the conformation of the diterpenoid core is observed when the hydroxyl group is oxidized at the C(9) position and the hydroxyl group is acylated at the C(10) position compared to other baccatin analogs. Compounds 12a and 12c crystallize in the orthorhombic space group P212121. In the structures, the six-membered A ring exhibits a 1, 4-di-planar conformation, the eight-membered B ring adopts boat–chair conformation, and the six-membered C ring exhibits a slightly distorted half-chair conformation.
Synthesis, Characterization, Properties, and Theoretical Calculation of an Inorganic–Organic Hybrid Mononuclear Copper(II) Complex Containing 3-Hydroxy-2-methyl-quinoline-4-carboxylate
Xiu-Guang Yi, Xiao-Niu Fang, Yin-Feng Wang, Jin Guo, Jia Li
A novel copper complex [CuL(bipy)(H2O)]·H2O was synthesized by solvothermal reaction and its crystal structure was determined by single-crystal X-ray diffraction technique. (HL = 3-hydroxy-2-methylquinoline4-carboxylic acid; bipy = 2,2′-bipyrdine) The title complex (1) crystallizes in the orthorhombic system of the Pbca space group, and exists as an isolated mononuclear structure. The intermolecular hydrogen bonds and the strong π···π stacking interactions yield a three-dimensional (3-D) supramolecular network. Solid-state photoluminescence spectrum uncovers that it shows an emission in the pale blue region of the light spectrum. It has remarkable CIE (Commission Internationale de I'Éclairage) chromaticity coordinates of (0.2656, 0.3162), so it may be a very promising color lighting and display converter. Time-dependent density functional theory (TDDFT) calculation reveals that this emission is caused by to the ligand-to-ligand charge transfer (LLCT). Solid-state diffuse reflectance data shows that there is a narrow optical band gap of 1.38 eV. Therefore, it could be probably a candidate for narrow band gap semiconductors.
Syntheses, Crystal Structures and NBO Calculation of Two New Zinc(II) Coordination Polymers
Xiu-Mei Li, Zhi-Tao Wang, Valentin Valtchev, Qian-Rong Fang, Ya-Ru Pan
Two new Zn(II) coordination polymers based on bis(imidazol), namely, [Zn(hba)2(bib)]n(1) and [Zn(NAA)(bib)1.5]n·nNO3−·3nH2O (2) (Hhba = 3-hydroxybenzoic acid, HNAA = 1-naphthyl acetic acid, bib = 1,4-bis(imidazol-1-yl)-butane) have been successfully synthesized under hydrothermal conditions. Their structures have been determined by single crystal X-ray diffraction analyses, elemental analyses, IR, TG and fluorescence spectrums. Complex 1 shows a one-dimensional zigzag chain structure. Complex 2 exhibits two-dimensional network structure. The intermolecular hydrogen bonding and π–π stacking interactions extend the complexes 1 and 2 into supramolecular architectures and play an important role in stabilizing complexes 1 and 2. Furthermore, complex 1 exhibits intense blue luminescence and appears to be a good candidate for novel hybrid inorganic–organic photoactive materials, while no photoluminescent response was observed for complex 2. In addition, we analyzed the Natural Bond Orbitals (NBO) of 1 and 2 using the PBE0/LANL2DZ method in the Gaussian 09 Program. The calculations showed the obvious covalent interaction between the coordinated atoms and Zn(II) ion.
Crystal Structures of Cobalt Sandwich Complexes in the η 5 -Cyclopentadienyl/ η 4 -Cyclobutadiene and η 5 -Cyclopentadienyl/ η 4 -Cyclopentadienone Families
Daniel E. Lynch, Emily M. Harcourt, James T. Engle, Joshua R. Farrell, Christopher J. Ziegler, Darren G. Hamilton
The crystal structures of six cobalt sandwich complexes—four in the η5-cyclopentadienyl/η4-cyclobutadiene family, two from the related η5-cyclopentadienyl/η4-cyclopentadienone family—are presented and discussed alongside related structural precedents. In each of the complexes an undecorated cyclopentadienyl ligand is present whereas the partner cyclobutadiene or cyclopentadienone ligand bears four identical aromatic substituents (phenyl, p-tolyl, p-fluorophenyl, 2-thienyl or 2,2′-bithienyl). This range of substituents allows for detailed structural comparison between members of the families of sandwich complexes presented here, and with previously reported structures.
Correction to: Crystal Structures of Spiro Derivatives Including 6,10-Dioxaspiro[4.5]decane-7,9-dione Group and Their Spectral Studies
Wulan Zeng, Xia Wang
The original version of this article unfortunately contains the error in reaction Scheme 1 Graphical Abstract and inside text.
Crystal Structures of Spiro Derivatives Including 6,10-Dioxaspiro[4.5]decane-7,9-dione Group and Their Spectral Studies
A new intermediate, C22H30N2O8 (J0) was attained by reaction of 6,10-dioxaspiro[4.5]decane-7,9-dione with 1,1-dimethoxy-n,n-dimethyl-methanamin in ethanol. The two oxaspirocyclic compounds C16H17NO4 (J1) and C16H17NO4 (J2) were prepared by adding 2-methylbenzenamine and 3-methylbenzenamine into to the ethanol solution of J0, respectively. Two crystals (J0 and J1) were determined by single-crystal X-ray diffraction. The compound of J0 includes one (C5 H13 N2)+ cation and one (C17 H17 O8)− anion, which indicates it is a salt. There is no classical hydrogen bonds in J0. However, there is one kind of N–H⋅⋅⋅O intramolecular interactions and one kind of C–H⋅⋅⋅O intermolecular interactions in J1. In addition, the fluorescence spectra of J1 and J2 in dilute ethanol were studied, which they exhibit purplish red emission and reddish purple emission, respectively.
Two Related Thienoquinolizidines and Their Crystal, Molecular Structure and Electronic Properties
Július Sivý, Štefan Marchalín, Peter Šafář
Two crystals of quinolizidine compounds; systematic name: (rac)-(7,8,9,9a)-tetrahydro-4H-thieno[2,3-b]quinolizine-6,10-dione, (I), and (rac)-(9a,10)-10-hydroxy-8,9,9a,10-tetrahydro-4H-thieno[2,3-b]quinolizin-6(7H)-one, (II), have been compared and characterized by single-crystal X-ray diffraction and electronic analysis. N-heterocyclic rings in both structures are not planar and adopt a half-chair conformation. The molecules of (I) are linked via weak C–H···O hydrogen bonds into chains along c axis. While the crystal stacks in compound (II) are formed by strong O–H···O hydrogen bonds the molecules link into infinite zig-zag chains along the b axis. In both crystal structures, π–π stacking and C–H···π interactions are also observed. Calculation of the net atomic charges shows that O atoms in both compounds carry a relatively large negative charges, in comparison with the corresponding H atoms. Crystal, molecular and electronic structures of these compounds, which are influenced by hydrogen-bonded assemblies in the molecular crystals, are discussed in detail.
Crystal and Molecular Structures of N -(5-Chloro-2-hydroxy-phenyl)-acetamide and Its Co-crystal with 3,5-Dinitrobenzoic Acid
Xinchen Chi, Lanqing Wang, Shouwen Jin, Daqi Wang, Ying Zhao, Zhaohui Tao
Two crystalline compounds N-(5-chloro-2-hydroxy-phenyl)-acetamide [L] (1), and (N-(5-chloro-2-hydroxy-phenyl)-acetamide): (3,5-dinitrobenzoic acid) [(L) · (3,5-Hdns), 3,5-Hdns = 3,5-dinitrobenzoic acid] (2) were prepared and characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. Compound 1 crystallizes in the monoclinic, space group C2/c, with a = 9.9833(7) Å, b = 10.7789(8) Å, c = 16.1622(14) Å, β = 92.8010(10)°, V = 1737.1(2) Å3, Z = 8. Compound 2 crystallizes in the monoclinic, space group C2/c, with a = 32.818(3) Å, b = 6.9900(5) Å, c = 14.8431(12) Å, β = 90.5340(10)°, V = 3404.8(5) Å3, Z = 8. Both supramolecular architectures of the compounds 1–2 involve N–H···O/O–H···O/C–H···O hydrogen bonds as well as other non-covalent association. The role of these non-covalent interactions in the crystal packing is ascertained. These weak interactions combined, the compounds displayed 1D–3D structures.
Anhydrides of Arylfuran and Arylpyran Pseudoacids: Formation and Structures; C–O Bond Lengths Trends in Pseudo o -Formylbenzoic Acid Derivatives
Emily O'Loughlin, Edward J. Valente
Three methods for producing anhydrides of arylfuran and arylpyran pseudoacids were explored. These included thermal dehydration, phosgene or thionly chloride activation and decomposition, and dicyclohexylcarbodiimide activation and coupling. Derivatives of the cyclic forms of o-formylbenzoic acid, o-acetylbenzoic acid, 2-carboxyphenylacetaldehyde and of 4,4-dimethyl-3,4-dihydro-3-hydroxy-[1H]-isobenzopyran-1-one were formed including dipseudoanhydides and normal-pseudo anhydrides. Crystal and molecular structures for meso and (R,R/S,S)-bis(1[3H]-isobenzofuranone-3-yl)ether, (R,R/S,S)-bis(3-methyl-1[3H]-isobenzofuranone-3yl)ether, meso (3,4-dihydro-[1H]-isobenzopyran-1-one-3-yl)ether, 3-benzoyloxy-1[3H]-isobenzofuranone, 3-benzoyloxy-3-methyl-1[3H]isobenzofuranone, 3-(4′-nitrobenzoyloxy)-4,4-dimethyl-3,4-dihydro-[1H]-isobenzopyran-1-one, and (1[3H]-isobenzofuranone-3-yl)(4,4,dimethyl-3,4-dihydro-[1H]-isobenzopyran-1-one-3-yl)ether are reported. Endocyclic pseudoacyl C–O bonds are always longer than the exocyclic pseudoacyl C–O bonds. It is possible to refine the previously established C–O bond length dependencies on the pKa (of the conjugate acids) of the leaving groups for 3-substituted 1-[3H]-isobenzofuranones. Of six dipseudoanhydrides studied, conformations are found with exocyclic C–O(ether) linkages synclinal to the endocyclic C–O and away from the ring (exo conformation) in two meso structures, two of three RR/SS forms and in a chiral unsymmetrical form. An endo conformation is observed in one of the RR/SS forms. In three normal-pseudo anhydrides, both endo and exo conformations are observed.
Syntheses, Structural Characterization and Thermoanalysis of Transition-Metal Compounds Derived from 3,5-Dinitropyridone.
Rong Fan,Qiu-Ping Zhou,Guo-Fang Zhang,Mei-Yu Cai,Ping Li,Li-Hua Gan,Feng-Qi Zhao,Ji-Zhen Li,Xue-Zhong Fan,Seik Weng Ng
Nine metal compounds of Mn(II), Zn(II) and Cd(II) derived from dinitropyridone ligands (3,5-dinitro-pyrid-2-one, 2HDNP; 3,5-dinitropyrid-4-one, 4HDNP and 3,5-dinitropyrid-4-one-N- hydroxide, 4HDNPO) were characterized by elemental analysis, FT-IR and partly by TG-DSC. Three of which were further structurally characterized by X-ray single-crystal diffraction analysis. The structures of the three compounds, Mn(4DNP)(2)(H(2)O)(4), 4, Zn(4DNPO)(2)(H(2)O)(4), 8, and Cd(4DNPO)(2)(H(2)O)(4), 9, crystallize in the monoclinic space group P2(1)/n and Z = 2, with a = 8.9281(9), b = 9.1053(9), c = 10.6881(11) A, beta = 97.9840(10) degrees for 4; a = 8.4154(7), b = 9.9806(8), c = 10.5695(8) A, beta = 97.3500(10) degrees for 8; a = 8.5072(7), b = 10.2254(8), c = 10.5075(8) A, beta 96.6500(10) degrees for 9. All three complexes are octahedral consisting of four equatorial water molecules, and two nitrogen or oxygen donor ligands (DNP or DNPO). The abundant hydrogen-bonding and pi-pi stacking interactions seem to contribute to stabilization of the crystal structures of the compounds. The TG-DTG results revealed that the complexes showed a weight loss sequence corresponding to all coordinated water molecules, nitro groups, the breaking of the pyridine rings and finally the formation of metal oxides.
Crystal Structures and Thermal Properties of Two Transition-Metal Compounds {[Ni(DNI)(2)(H(2)O)(3)][Ni(DNI)(2) (H(2)O)(4)]}.6H(2)O and Pb(DNI)(2)(H(2)O)(4) (DNI = 2,4-Dinitroimidazolate).
Guo-Fang Zhang,Mei-Yu Cai,Ping Jing,Chong He,Ping Li,Feng-Qi Zhao,Ji-Zhen Li,Xue-Zhong Fan,Seik Weng Ng
Two transition-metal compounds derived from 2,4-dinitroimidazole, {[Ni(DNI)(2)(H(2)O)(3)][Ni(DNI)(2) (H(2)O)(4)]}.6H(2)O, 1, and Pb(DNI)(2)(H(2)O)(4), 2, were characterized by elemental analysis, FT-IR, TG-DSC and X-ray single-crystal diffraction analysis. Crystal data for 1: monoclinic, space group C2/c, a = 26.826(3), b = 7.7199(10), c = 18.579(2) A, beta = 111.241(2) degrees and Z = 4; 2: monoclinic, space group C2/c, a = 6.5347(6), b = 17.1727(17), c = 14.1011(14) A, beta = 97.7248(10) and Z = 4. Compound 1 contains two isolated nickel centers in its structure, one being six-coordinate and another five-coordinate. The structure of 2 contains a lead (II) center surrounded by two chelating DNI ligands and four water molecules in distorted square-antiprism geometry. The abundant hydrogen bonds in two compounds link the molecules into three-dimensional network and stabilize the molecules. The TG-DSC analysis reveals that the first step is the loss of water molecules and the final residue is the corresponding metal oxides and carbon.
Ethynyl and Propynylpyrene Inhibitors of Cytochrome P450.
Naijue Zhu,Danielle Lightsey,Jiawang Liu,Maryam Foroozesh,Kathleen M Morgan,Edwin D Stevens,Cheryl L Klein Stevens
The single-crystal X-ray structures and in vivo activities of three aryl acetylenic inhibitors of cytochromes P450 1A1, 1A2, 2A6, and 2B1 have been determined and are reported herein. These are 1-ethynylpyrene, 1-propy-nylpyrene, and 4-propynylpyrene. To investigate electronic influences on the mechanism of enzyme inhibition, the experimental electron density distribution of 1-ethynylpy-rene has been determined using low-temperature X-ray diffraction measurements, and the resulting net atomic charges compared with various theoretical calculations. A total of 82,390 reflections were measured with Mo Kα radiation to a (sinθ/λ)(max) = 0.985 Å(-1). Averaging symmetry equivalent reflections yielded 8,889 unique reflections. A least squares refinement procedure was used in which multipole parameters were added to describe the distortions of the atomic electron distributions from spherical symmetry. A map of the model electron density distribution of 1-ethynylpyrene was obtained. Net atomic charges calculated from refined monopole population parameters yielded charges that showed that the terminal acetylenic carbon atom (C18) is more negative than the internal carbon (C17). Net atomic charges calculated by ab initio, density functional theory, and semi-empirical methods are consistent with this trend suggesting that the terminal acetylenic carbon atom is more likely to be the site of oxidation. This is consistent with the inhibition mechanism pathway that results in the formation of a reactive ketene intermediate. This is also consistent with assay results that determined that 1-ethynylpyrene acts as a mechanism-based inhibitor of P450s 1A1 and 1A2 and as a reversible inhibitor of P450 2B1. Crystallographic data: 1-ethynylpyrene, C(18)H(10), P2(1)/c, a = 14.571(2) Å, b = 3.9094(5) Å, c = 20.242(3) Å, β = 105.042(2)°, V = 1,113.5(2) Å(3); 1-propynylpyrene, C(19)H(12), P2(1)/n, a = 8.970(2) Å, b = 10.136(1) Å, c = 14.080(3) Å, β = 99.77(2)°, V = 1,261.5(4) Å(3); 4-propynylpyrene, C(19)H(12), Pbca, a = 9.904(1) Å, b = 13.174(2) Å, c = 19.401(1) Å, V = 2,531.4(5) Å(3).
Synthesis and crystal structure of a phenazine N-oxide.
Kejia Ding,Sergey M Dibrov,Thomas Hermann
The preparation and crystal structure of 8-chloro-1H-pyrrolo[2,3-b]phenazine 5-oxide (1) are described. Compound 1 formed dark purple crystals from deeply colored solution in methanol. Crystal plates were in the triclinic system, P-1 space group with unit cell parameters a = 6.9514(8), b = 9.1568(10), c = 10.2067(11), α = 84.509(2), β = 82.936(2), γ = 72.357(2) and a cell volume of 613.25(12) A-3. The title compound which contains the first example of the extensively conjugated pyrrolo-phenazine N-oxide system exhibits strong light absorption in the green to cyan wavelength range which disappears upon protonation.
Crystal structure of a benzimidazole hepatitis C virus inhibitor free and in complex with the viral RNA target.
Sergey M Dibrov,Matthew A Parker,B Mikael Bergdahl,Thomas Hermann
The crystal structure of 8-((dimethylamino)methyl)-1-(3-(dimethylamino)propyl)-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine (1), an inhibitor of the hepatitis C virus internal ribosome entry site, is described and compared to the structure of the compound in complex with the viral RNA target. Compound 1 crystallized by pentane vapor diffusion into dichloroethane solution. It crystallized in the monoclinic system, P21/c space group with unit cell parameters a = 15.7950(5) Å, b = 14.0128(4) Å, c = 8.8147(3) Å, β = 94.357(2)° and a cell volume of 1945.34(11) A-3. Packing interactions in the small molecule crystal lattice correspond to key interactions of the compound with the viral RNA target.
Structural and Spectral Analyses of 2-[(2-Benzothiazolylmethyl)thio]-benzenamine and 2-[(2-Benzothiazolylmethyl)thio]-benzenamine hydrobromide.
Dustin W Demoin,Charles L Barnes,Timothy J Hoffman,Silvia S Jurisson
2-[2-benzothiazoylmethyl)thio]-benzenamine, which was first reported in 1898, was isolated from the reaction of bromoacetyl bromide and 2-aminothiophenol [1]. The product crystallized from an aqueous methanol solution of the reaction mixture to which nickel(II) acetate had been added. 2-[(2-benzothiazolylmethyl)thio]-benzenamine crystallized in the monoclinic system, in space group C2/c, with cell dimensions of a = 27.392 (19) Å, b = 4.730 (3) Å, and c = 23.686 (16) Å, β = 122.465 (6)°, V = 2589(3) Å(3), Z = 8 and refined to R = 0.0343 and R(w) = 0.0844. Crystallization from methanol yielded the product as the hydrobromide salt in the monoclinic space group Cc, with cell dimensions of a = 10.488 (3) Å, b = 33.404 (9) Å, c = 5.2578 (14) Å, β = 116.769(2)°, V = 1644.7(8) Å(3), Z = 4 and refined to R = 0.0296 and R(w) = 0.0600. Mass spectral and NMR analyses confirmed that the bulk and crystalline compound were all 2-[(2-benzothiazolylmethyl)thio]-benzenamine.
Synthesis and Crystal Structure of the Azoxydichinyl Helicene, Pyrido[3,2-f]quinolino[6,5-c]cinnoline 5-Oxide Monohydrate.
Anuruddha Rajapakse,Charles L Barnes,Kent S Gates
The helicene, pyrido[3,2-f]quinolino[6,5-c]cinnoline 5-oxide, was prepared by treatment of 6-hydroxylaminoquinoline with xanthine oxidase or treatment of 6-nitroquinoline with glucose in 30% NaOH and the product characterized using NMR, high resolution mass spectrometry, and X-ray crystallography. The hydrogens on carbons 7 and 12 of the terminal aromatic rings are separated by 2.495 Å creating an angle of 25.0° between the planes of the two quinoline ring systems. In the crystal, water molecules serve to link the helicenes into a one dimensional chain structure forming a hydrogen bonded bridge between N2 of one molecule and N4 of another. The molecule (C(18)H(10)N(4)O•H(2)O) crystallized in the monoclinic P2(1)/n space group. Unit cell parameters for pyrido[3,2-f]quinolino[6,5-c]cinnoline 5-oxide monohydrate: a = 7.0829(12), b = 18.559(3), c = 11.0985(19) Å, β = 107.736(2)°, and Z = 4.
Synthesis, Crystal Structure, and Rotational Energy Profile of 3-Cyclopropyl-1,2,4-benzotriazine 1,4-Di-N-oxide.
Ujjal Sarkar,Rainer Glaser,Zack D Parsons,Charles L Barnes,Kent S Gates
1,2,4-Benzotriazine 1,4-di-N-oxides are potent antitumor drug candidates that undergo in vivo bioreduction leading to selective DNA damage in the low oxygen (hypoxic) cells found in tumors. Tirapazamine (TPZ) is the lead compound in this family. Here we report on the synthesis, crystal structure, and conformational analysis of a new analog, 3-cyclopropyl-1,2,4-benzotriazine 1,4-di-N-oxide (3). Compound 3 (C(10)H(10)N(3)O(2)) crystallized in the monoclinic space group C2/c. Unit cell parameters for 3: a = 16.6306 (12), b = 7.799 (5), c = 16.0113 (11) Å, α = 90, β = 119.0440 (10), γ = 90, and z = 8.
Crystal and Molecular Structure of Dichloro(ethylenediamine)gold(III) Nitrate: [Au(NH2CH2CH2NH2)Cl2]NO3.
D Michelle Motley,Judith A Walmsley,Julio Zukerman-Schpector,Edward R T Tiekink
The gold(III) atom in [Au(NH2CH2CH2NH2) Cl2]NO3 is chelated by the ethylenediamine (en) ligand and the approximately square planar geometry is completed by two chloride atoms. Weak Au⋯O and Au⋯Cl contacts are noted above and below the square plane leading to a tetragonally distorted octahedron for the gold(III) center. Extensive charge-assisted hydrogen bonding of the type N-H⋯O leads to the formation of a 2-D array and layers are consolidated into a 3-D network via C-H⋯O and C-H⋯Cl contacts. The compound crystallizes in the orthorhombic space group Pbca with a = 10.3380(11) Å, b = 8.2105(7) Å, c = 19.625(2) Å, and Z = 8.
Synthesis and Crystallographic Study of N'-(1-benzylpiperidin-4-yl)acetohydrazide.
Gary S Nichol,Ruben Vardanyan,Victor J Hruby
As part of a study into new Fentanyl-derived opioid compounds with potent analgesic activity and reduced side effects the starting material title compound, C14H21N3O (1), was synthesized and characterized by NMR spectroscopy and single-crystal X-ray diffraction. The crystal structure is monoclinic Cc with unit cell parameters a = 14.1480(3) Å, b = 14.1720(4) Å, c = 27.6701(7) Å, β = 96.956(1)°, α = γ = 90°. The compound has crystallized with four crystallographically unique molecules in the asymmetric unit; each molecule has a very similar conformation and an analysis of the structure shows that although all four unique molecules overlay very well there is no evidence of pseudo-symmetry which would relate the molecules in the higher symmetry space group C2/c. The crystal packing consists of two separate hydrogen bonded chains which are linked together to form a thick 2D structure in the ab plane.

redpajama_set_name: RedPajamaCommonCrawl


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