Machado Aline, Manzoni de Oliveira Gelson N, Fenner Herton, Burrow Robert A
Laboratório de Materiais Inorgânicos, Departamento de Química, Universidade Federal de Santa Maria, 97105-900 Santa Maria, RS, Brazil.
Acta Crystallogr C. 2008 Jun;64(Pt 6):m233-6. doi: 10.1107/S0108270108011232. Epub 2008 May 14.
This study characterizes a new polymorph of the title compound, [CuCl(C18H15P)3], and analyses the influence of the extensive network of weak hydrogen-bonding interactions in the generation of this different crystal structure. The compound crystallizes in the centrosymmetric space group C2/c with two crystallographically independent molecules per asymmetric unit, in contrast with the previously determined polymorph which crystallizes in the noncentrosymmetric space group P3 with three crystallographically independent molecules in the asymmetric unit, each with crystallographically imposed C3 symmetry [Gill, Mayerle, Welcker, Lewis, Ucko, Barton, Stowens & Lippard (1976). Inorg. Chem. 15, 1155-1168]. The geometries of the two molecules of the title compound are very similar, with each having an approximately tetrahedral coordination around the central Cu atom and approximate C(s) molecular symmetry. The molecules pack in chains parallel to the crystallographic b axis, connected by C-H...Cl and C-H...pi(phenyl) hydrogen bonds.
本研究表征了标题化合物[CuCl(C₁₈H₁₅P)₃]的一种新多晶型物，并分析了广泛的弱氢键相互作用网络对这种不同晶体结构生成的影响。该化合物结晶于中心对称空间群C2/c，每个不对称单元中有两个晶体学独立分子，这与先前确定的多晶型物不同，先前的多晶型物结晶于非中心对称空间群P3，不对称单元中有三个晶体学独立分子，每个分子具有晶体学强加的C3对称性[吉尔、迈耶勒、韦尔克、刘易斯、乌科、巴顿、斯托文斯和利帕德（1976年）。《无机化学》15，1155 - 1168]。标题化合物的两个分子的几何结构非常相似，每个分子在中心铜原子周围具有近似四面体配位和近似C(s)分子对称性。分子沿平行于晶体学b轴的方向堆积成链，通过C - H...Cl和C - H...π(苯基)氢键相连。
