Lemoine P, Viossat B
Laboratoire de Cristallographie et RMN Biologiques, UMR 8015 CNRS, Faculté des Sciences Pharmaceutiques et Biologiques de Paris V, 4 Avenue de l'Observatoire, 75270 Paris CEDEX 06, France.
Acta Crystallogr C. 2001 Nov;57(Pt 11):1248-50. doi: 10.1107/s0108270101011799. Epub 2001 Nov 13.
The asymmetric unit of the title compound, [CuCl(C(10)H(6)NO(2))(C(14)H(12)N(2))], contains two monomeric copper molecules, A and B. Each Cu atom is coordinated to one 2,9-dimethyl-1,10-phenanthroline (neocuproine) ligand via both N atoms, to one isoquinoline-1-carboxylate anion (IQC(-)) via the N and one O atom, and to one Cl(-) anion. The environment of the Cu atom is approximately square pyramidal, with the apical position occupied by an N atom of neocuproine. In molecule A, the Cu atom is 0.301 (1) A above the basal plane; this distance is 0.316 (1) A in molecule B. The crystal packing is characterized by several hydrogen bonds.
标题化合物[CuCl(C₁₀H₆NO₂)(C₁₄H₁₂N₂)]的不对称单元包含两个单体铜分子，A和B。每个铜原子通过两个氮原子与一个2,9 - 二甲基 - 1,10 - 菲咯啉（新铜试剂）配体配位，通过一个氮原子和一个氧原子与一个异喹啉 - 1 - 羧酸根阴离子（IQC⁻）配位，并与一个氯离子（Cl⁻）配位。铜原子的环境近似为四方锥，顶端位置由新铜试剂的一个氮原子占据。在分子A中，铜原子位于基面上方0.301(1) Å；在分子B中，该距离为0.316(1) Å。晶体堆积的特征是存在几个氢键。
