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二水合双-{1-[(1H-苯并咪唑-2-基)甲基]-1H-1,2,4-三唑-κN}双-(2,4,5-三羧基苯甲酸根-κO)镉

Diaqua-bis-{1-[(1H-benzimidazol-2-yl)meth-yl]-1H-1,2,4-triazole-κN}bis-(2,4,5-tricarb-oxy-benzoato-κO)cadmium dihydrate.

作者信息

Zhao Lei, Liu Bingtao, Jin Guanghua, Meng Xiangru

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m139-40. doi: 10.1107/S1600536812000384. Epub 2012 Jan 11.

Abstract

In the title complex, [Cd(C(10)H(5)O(8))(2)(C(10)H(9)N(5))(2)(H(2)O)(2)]·2H(2)O, the Cd(II) ion lies on an inversion center and is coordinated by two N atoms from two symmetry-related 1-[(1H-benzimidazol-2-yl)meth-yl]-1H-1,2,4-triazole ligands and two O atoms from two monodeprotonated 2,4,5-tricarb-oxy-benzoate anions in equatorial positions and by two water O atoms in axial positions, leading to a distorted octa-hedral environment. In the crystal, complex mol-ecules and solvent water mol-ecules are linked through inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds into a three-dimensional network. Intra-molecular O-H⋯O hydrogen bonds are also present.

摘要

在标题配合物[Cd(C₁₀H₅O₈)₂(C₁₀H₉N₅)₂(H₂O)₂]·2H₂O中,Cd(II)离子位于一个对称中心上,在赤道平面位置由来自两个对称相关的1-[(1H-苯并咪唑-2-基)甲基]-1H-1,2,4-三唑配体的两个N原子以及来自两个单去质子化的2,4,5-三羧基苯甲酸根阴离子的两个O原子配位,在轴向位置由两个水分子的O原子配位,形成一个扭曲的八面体环境。在晶体中,配合物分子和溶剂水分子通过分子间的O-H⋯O、O-H⋯N和N-H⋯O氢键连接成一个三维网络。分子内也存在O-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9958/3274875/334ccddd0aee/e-68-0m139-fig1.jpg

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