Al-Far Rawhi H, Ali Basem Fares
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):m73-4. doi: 10.1107/S1600536808041652.
The asymmetric unit of the title compound, (C(6)H(9)N(2))(2)[CuCl(4)], consists of one cation and one half-anion, bis-ected by a twofold rotation axis through the metal center. The anion exhibits a geometry that is inter-mediate between a T(d) and D(4h) arrangement about the Cu atom. The crystal structure contains chains of cations alternating with stacks of anions. The cationic groups inter-act via offset face-to-face π-π stacking, forming chains running along the c axis. The anion stacks are parallel to the cation chains, with no significant inter- nor intra-stack Cl⋯Cl inter-actions. There are several anion-cation hydrogen-bonding inter-actions of the (N-H)(pyridine)⋯Cl and (N-H)(amino)⋯Cl types, connecting the chains of cations to the stacks of anions. Both the N-H⋯Cl and π-π stacking inter-actions [centroid-centroid distances 3.61 (8) and 3.92 (2) Å] contribute to the formation of a three-dimensional supra-molecular architecture.
标题化合物(C₆H₉N₂)₂[CuCl₄]的不对称单元由一个阳离子和半个阴离子组成，通过金属中心的二重旋转轴将其平分。阴离子呈现出一种几何构型，介于围绕铜原子的T(d)和D(4h)排列之间。晶体结构包含阳离子链与阴离子堆叠交替排列。阳离子基团通过错位的面对面π-π堆积相互作用，形成沿c轴延伸的链。阴离子堆叠与阳离子链平行，层间和层内均不存在显著的Cl⋯Cl相互作用。存在几种(N-H)(吡啶)⋯Cl和(N-H)(氨基)⋯Cl类型的阴离子-阳离子氢键相互作用，将阳离子链与阴离子堆叠连接起来。N-H⋯Cl和π-π堆积相互作用[质心-质心距离分别为3.61 (8)和3.92 (2) Å]都有助于形成三维超分子结构。
