Kurawa Mukhtar A, Adams Christopher J, Orpen A Guy
School of Chemistry, University of Bristol, Bristol BS8 1TS, England.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 13;64(Pt 7):m924-5. doi: 10.1107/S1600536808017455.
The asymmetric unit of the title compound, (C(4)H(5)N(2)O)(2)[Cu(2)Cl(6)(C(4)H(4)N(2)O)(2)]·2H(2)O, consists of one cation, one half of a centrosymmetric dianion and one water mol-ecule. The centrosymmetric dianion formed by dimerization in the crystal structure has neutral pyrimidin-2-one ligands coordinated to each copper(II) centre through Cu-N bonds. The Cu atoms each have a distorted trigonal bipyramidal geometry, with the N atom of the pyrimidin-2-one ligand in an axial position, and dimerize by sharing two equatorial Cl atoms. N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds connect the anions, cations and water mol-ecules, forming a three-dimensional network.
标题化合物(C₄H₅N₂O)₂[Cu₂Cl₆(C₄H₄N₂O)₂]·2H₂O的不对称单元由一个阳离子、一个中心对称二价阴离子的一半和一个水分子组成。晶体结构中通过二聚作用形成的中心对称二价阴离子具有中性的嘧啶 - 2 - 酮配体,通过Cu - N键与每个铜(II)中心配位。每个铜原子具有扭曲的三角双锥几何构型,嘧啶 - 2 - 酮配体的N原子处于轴向位置,并通过共享两个赤道面的Cl原子形成二聚体。N - H⋯Cl、O - H⋯Cl和N - H⋯O氢键连接阴离子、阳离子和水分子,形成三维网络。