C5N4 is Tungsten structured and crystallizes in the trigonal R3c space group. The structure is zero-dimensional and consists of six methanetetracarbonitrile molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(3) and one N(1) atom. In the second C site, C(2) is bonded in a distorted linear geometry to one C(3) and one N(2) atom. In the third C site, C(3) is bonded in a tetrahedral geometry to one C(2) and three equivalent C(1) atoms. 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 single-bond geometry to one C(1) atom.
C5N4 is Tungsten structured and crystallizes in the trigonal R3c space group. The structure is zero-dimensional and consists of six methanetetracarbonitrile molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(3) and one N(1) atom. The C(1)-C(3) bond length is 1.48 Å. The C(1)-N(1) bond length is 1.16 Å. In the second C site, C(2) is bonded in a distorted linear geometry to one C(3) and one N(2) atom. The C(2)-C(3) bond length is 1.48 Å. The C(2)-N(2) bond length is 1.16 Å. In the third C site, C(3) is bonded in a tetrahedral geometry to one C(2) and three equivalent C(1) atoms. 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 single-bond geometry to one C(1) atom.