MgB2C8H4(N4O)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent O(1) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded in a linear geometry to one B(1) and one N(2) atom. In the second C site, C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(1) is bonded in a linear geometry to one Mg(1) and one C(1) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms.
MgB2C8H4(N4O)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent O(1) atoms. All Mg(1)-N(1) bond lengths are 2.18 Å. Both Mg(1)-O(1) bond lengths are 2.06 Å. B(1) is bonded in a tetrahedral geometry to two equivalent C(1) and two equivalent C(2) atoms. Both B(1)-C(1) bond lengths are 1.59 Å. Both B(1)-C(2) bond lengths are 1.59 Å. There are two inequivalent C sites. In the first C site, C(2) is bonded in a linear geometry to one B(1) and one N(2) atom. The C(2)-N(2) bond length is 1.16 Å. In the second C site, C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. The C(1)-N(1) bond length is 1.16 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(1) is bonded in a linear geometry to one Mg(1) and one C(1) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms.