Zhu Hai-Bin, Li Lei, Ji Jun-Feng
School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 17;65(Pt 7):m784. doi: 10.1107/S1600536809022636.
The asymmetric unit of the title compound, [CoCl(2)(C(18)H(12)N(6)S)], contains one half-mol-ecule situated on a twofold rotation axis which passes through the Co and S atoms. The metal centre is in a distorted octahedral CoCl(2)N(4) coordination with the Cl atoms in the axial positions. In the crystal structure, inter-molecular C-H⋯Cl inter-actions help to establish the packing.
标题化合物[CoCl₂(C₁₈H₁₂N₆S)]的不对称单元包含半个分子,位于通过钴和硫原子的二重旋转轴上。金属中心处于扭曲的八面体CoCl₂N₄配位环境,氯原子位于轴向位置。在晶体结构中,分子间的C—H⋯Cl相互作用有助于形成堆积。