Zhang Zhong, Zhao Yao, Geng Zhi-Rong, Wang Zhi-Lin
Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 19;64(Pt 7):m942-3. doi: 10.1107/S1600536808018011.
In the title compound, [CoCl(2)(C(12)H(14)ClN(3))(2)], the central Co(II) ion lies on a twofold rotation axis and adopts a distorted tetra-hedral coordination geometry defined by two N atoms from two 2-(2-chloro-ethyl)-1,2,3,4-tetra-hydro-pyrazino[1,2-a]benzimidazole ligands and two chloride anions. The Cl atom located in the side chain of the ligand is involved in inter-molecular C-H⋯Cl hydrogen bonding, which links neutral complex units into a one-dimensional right-handed helical chain running along a crystallographic 4(1) axis. Such hydrogen-bonded helical chains are connected to each other to form a homochiral three-dimensional supra-molecular network. One C atom of the 2-chloro-ethyl chain is disordered over two positions, with site-occupancy factors of 0.52 and 0.48.
在标题化合物[CoCl₂(C₁₂H₁₄ClN₃)₂]中，中心Co(II)离子位于一个二重旋转轴上，采用由来自两个2-(2-氯乙基)-1,2,3,4-四氢吡嗪并[1,2-a]苯并咪唑配体的两个N原子和两个氯离子定义的扭曲四面体配位几何构型。位于配体侧链中的Cl原子参与分子间C-H⋯Cl氢键作用，该作用将中性配合物单元连接成沿晶体学4(1)轴延伸的一维右手螺旋链。这种氢键螺旋链相互连接形成一个同手性三维超分子网络。2-氯乙基链的一个C原子在两个位置上无序，占位因子分别为0.52和0.48。
