二水合双-{5-羧基-2-[(1H-1,2,4-三唑-1-基)甲基]-1H-咪唑-4-羧酸根合}锌
Diaqua-bis-{5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ato}zinc.
作者信息
Hao Jing-Hao, Wang Jian-Ling
机构信息
Department of Quality Examination and Management, Zhengzhou College of Animal Husbandry Engineering, Zhengzhou, Henan 450011, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1645-6. doi: 10.1107/S160053681104387X. Epub 2011 Nov 2.
In the title compound, [Zn(C(8)H(6)N(5)O(4))(2)(H(2)O)(2)], the six-coordinate Zn(II) ion, which is located on an inversion center, has a distorted octa-hedral configuration. Each 5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ate ligand chelates to the Zn(II) ion through a triazole N atom and a carboxyl-ate O atom in the equatorial plane. The coordination sphere is completed by two water mol-ecules in axial positions. There is an intra-molecular O-H⋯O hydrogen bond in the ligand. In the crystal, mol-ecules are linked via inter-molecular O-H⋯O, O-H⋯N and N-H⋯N hydrogen bonds, forming a three-dimensional structure.
在标题化合物[Zn(C₈H₆N₅O₄)₂(H₂O)₂]中，位于对称中心的六配位Zn(II)离子具有扭曲的八面体构型。每个5-羧基-2-[(1H-1,2,4-三唑-1-基)甲基]-1H-咪唑-4-羧酸酯配体通过一个三唑N原子和一个赤道平面上的羧酸酯O原子与Zn(II)离子螯合。配位球由轴向位置的两个水分子完成。配体中存在分子内O—H⋯O氢键。在晶体中，分子通过分子间O—H⋯O、O—H⋯N和N—H⋯N氢键相连，形成三维结构。
Zotero 插件