Kim Young-Inn, Lim Hyun-Soo, Kang Sung Kwon
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m793-4. doi: 10.1107/S1600536811019076. Epub 2011 May 25.
The structure of the title salt, (C(6)H(8)N)(2)[CuCl(3.4)Br(0.6)], consists of two 3-methyl-pyridinium cations and a distorted tetra-hedral CuCl(3.4)Br(0.6) dianion. Substitutional disorder with Br is exhibited for three of the Cl atoms of the anion, giving a mixed chloride/bromide cuprate(II) anion. In the crystal, inter-molecular N-H⋯Cl hydrogen bonds link two cations to one anion, forming a three-ion aggregate. These are connected into a supra-molecular chain along the b axis via π-π inter-actions between the pyridinium rings [centroid-centroid distance = 3.743 (3) Å].
标题盐(C₆H₈N)₂[CuCl₃.₄Br₀.₆]的结构由两个3-甲基吡啶鎓阳离子和一个畸变的四面体[CuCl₃.₄Br₀.₆]²⁻二价阴离子组成。阴离子的三个氯原子存在Br的取代无序,形成了一种混合氯化物/溴化物铜酸盐(II)阴离子。在晶体中,分子间N-H⋯Cl氢键将两个阳离子与一个阴离子相连,形成一个三离子聚集体。这些通过吡啶鎓环之间的π-π相互作用[质心-质心距离 = 3.743 (3) Å]沿b轴连接成一个超分子链。