三水合二水双（5-羧基-2-乙基-1H-咪唑-5-羧基根合-κN,O）锌
Diaqua-bis-(5-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-κN,O)zinc trihydrate.
作者信息
Zhang Gang
机构信息
Department of Chemistry and Chemical Engineering, Henan University of Urban Construction, Pingdingshan, Henan 467044, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m717. doi: 10.1107/S160053681101676X. Epub 2011 May 7.
In the crystal structure of the title compound, [Zn(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·3H(2)O, the Zn(II) ion, located an inversion center, is N,O-chelated by two 5-carb-oxy-2-ethyl-1H-imidazole-4-carboxyl-ate anions and further coordinated by two water mol-ecules in a distorted octa-hedral geometry. The carb-oxy group links with the carboxyl-ate group of the same ligand via an intra-molecular O-H⋯O hydrogen bond. An extensive inter-molecular N-H⋯O and O-H⋯O hydrogen-bonded network exists in the crystal structure. One disordered lattice water mol-ecule is half-occupied and is located close to an inversion center.
在标题化合物[Zn(C₇H₇N₂O₄)₂(H₂O)₂]·3H₂O的晶体结构中，位于对称中心的Zn(II)离子被两个5-羧基-2-乙基-1H-咪唑-4-羧酸根阴离子进行N,O-螯合，并通过两个水分子以扭曲的八面体几何构型进一步配位。羧基通过分子内O-H⋯O氢键与同一配体的羧酸根基团相连。晶体结构中存在广泛的分子间N-H⋯O和O-H⋯O氢键网络。一个无序的晶格水分子占据一半位置，且位于对称中心附近。
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