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 25;64(Pt 7):m960-1. doi: 10.1107/S160053680801862X.
The title compound, (C(4)H(5)N(2)O)(5)[Cd(3)Cl(11)], was obtained from the reaction of 2-hydroxy-pyrimidine hydro-chloride and cadmium(II) chloride in concentrated HCl solution. The crystal structure consists of planar 2-oxo-1,2-dihydro-pyrimidin-3-ium cations with both N atoms protonated and the O atom unprotonated, and a complex trinuclear Cd(3)Cl(11) anion of approximately D(3h) symmetry, which has a triangle of three octa-hedrally coordinated Cd(II) centres bonded to 11 chloride ions. Three of the chloride ions bridge adjacent Cd atoms, two cap the faces of the Cd(3) triangle and the remaining six are terminally bonded and act as hydrogen-bond acceptors. Various N-H⋯Cl hydrogen bonds connect the anions and cations and, in addition, inter-molecular N-H⋯O hydrogen bonds contribute to the formation of a three-dimensional network.
标题化合物(C₄H₅N₂O)₅[Cd₃Cl₁₁]是由2-羟基嘧啶盐酸盐与氯化镉(II)在浓盐酸溶液中反应得到的。晶体结构由平面的2-氧代-1,2-二氢嘧啶-3-鎓阳离子组成，其中两个N原子质子化而O原子未质子化，以及一个具有近似D₃h对称性的复杂三核[Cd₃Cl₁₁]⁵⁻阴离子，该阴离子有一个由三个八面体配位的Cd(II)中心组成的三角形，它们与11个氯离子相连。其中三个氯离子桥连相邻的Cd原子，两个覆盖Cd₃三角形的面，其余六个以端基方式键合并作为氢键受体。各种N-H⋯Cl氢键连接阴离子和阳离子，此外，分子间的N-H⋯O氢键有助于形成三维网络。
