Materials Data on C(N2O)2 by Materials Project

Abstract

C(N2O)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen 2-nitroguanidine molecules. C4+ is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.34–1.40 Å. There are four inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one C4+ atom. In the second N site, N is bonded in a single-bond geometry to one C4+ atom. In the third N site, N is bonded in a distorted bent 120 degrees geometry to one C4+ and one N atom. The N–N bond length is 1.41 Å. In the fourth N site, N is bonded in a distorted trigonal planar geometry to one N and two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.