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二水合双(4-羧基-2-乙基-1H-咪唑-5-羧基根-κN,O)镉二水合物

Diaqua-bis-(4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-κN,O)cadmium dihydrate.

作者信息

Zhang Gang, Wang Yong

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):m890. doi: 10.1107/S1600536811021428. Epub 2011 Jun 11.

Abstract

The asymmetric unit of the title compound, [Cd(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·2H(2)O, consists of one Cd(II) ion, one 4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ate anion, one coordinated water mol-ecule and one lattice water mol-ecule. The Cd(II) ion lies on a twofold axis, and is hexa-coordinated by four O atoms from water mol-ecules and carboxyl-ate groups and two N atoms from two imidazole rings, in a distorted octa-hedral arrangement. An extensive framework of N-H⋯O and O-H⋯O hydrogen bonds with the participation of coordinated and free water mol-ecules is found in the crystal structure, which contributes to the formation of a three-dimensional structure.

摘要

标题化合物[Cd(C₇H₇N₂O₄)₂(H₂O)₂]·2H₂O的不对称单元由一个Cd(II)离子、一个4-羧基-2-乙基-1H-咪唑-5-羧酸盐阴离子、一个配位水分子和一个晶格水分子组成。Cd(II)离子位于一个二重轴上,以扭曲的八面体排列方式,通过来自水分子和羧酸盐基团的四个O原子以及来自两个咪唑环的两个N原子进行六配位。在晶体结构中发现了一个广泛的由配位水分子和游离水分子参与的N-H⋯O和O-H⋯O氢键框架,这有助于形成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5bd0/3151988/9bef789758cc/e-67-0m890-fig1.jpg

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