Ivashkevich Ludmila S, Lyakhov Alexander S, Serebryanskaya Tatiyana V, Gaponik Pavel N
Research Institute for Physico-Chemical Problems, Belarusian State University, Leningradskaya Str. 14, Minsk 220030, Belarus.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 19;64(Pt 8):m1044-5. doi: 10.1107/S1600536808022137.
The crystal structure of the title polymeric complex, CuCl(2)(C(3)H(6)N(4)O)(2), was obtained by the Rietveld refinement from laboratory X-ray powder diffraction data collected at room temperature. The unique Cu(II) ion lies on an inversion center and is in a slightly distorted octa-hedral coordination environment. In the hydroxy-ethyl group, all H atoms, the O atom and its attached C atom are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. The OH group is involved in an intra-molecular O-H⋯N hydrogen bond.
通过对在室温下收集的实验室X射线粉末衍射数据进行Rietveld精修，得到了标题聚合物配合物[CuCl₂(C₃H₆N₄O)₂]ₙ的晶体结构。独特的Cu(II)离子位于一个对称中心上，处于略微扭曲的八面体配位环境中。在羟乙基中，所有的H原子、O原子及其相连的C原子在两个位置上无序排列；占据因子约为0.6和0.4。OH基团参与了分子内的O-H⋯N氢键作用。
