Materials Data on C2NCl by Materials Project

ClCCN crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of two ClCCN sheets oriented in the (0, 1, 0) direction. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.25 Å. N3- is bonded in a linear geometry to two equivalent C2+ and four equivalent Cl1- atoms. There are a spread of N–Cl bond distances ranging from 3.07–3.16 Å. Cl1- is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms.

ClCCN晶体属于正交晶系Ibam空间群。其结构为二维，包含两个沿(0,1,0)方向取向的ClCCN片层。C²+以单键构型与一个N³⁻原子成键，C–N键长为1.25 Å。N³⁻以直线构型与两个等价的C²+原子及四个等价的Cl¹⁻原子成键。N–Cl键距范围为3.07–3.16 Å，呈现一定的分布。Cl¹⁻以矩形跷跷板型构型与四个等价的N³⁻原子成键。