Diaqua-bis-(5-carb-oxy-2-ethyl-1H-imidazole-4-carboxyl-ato-κ(2)N(3),O(4))cobalt(II) trihydrate.

Dong-Liang Miao,Wen-Dong Song,Seik Weng Ng,Shao-Wei Tong,Shi-Jie Li

doi:10.1107/s1600536812008902

Abstract

In the title compound, [Co(C7H7N2O4)2(H2O)2]·3H2O, the CoII cation, located on an inversion center, is N,O-chelated by two 5-carboxy-2-ethyl-1H-imidazole-4-carboxylate anions and further coordinated by two water molecules in a distorted octahedral geometry. Only one carboxy group of the anion is deprotonated, and the two carboxyl groups of the same anion are linked via an intramolecular O—H⋯O hydrogen bond. One of the lattice water molecules is located on an inversion center, its H atom equally disordered over two positions. One of H atoms of another lattice water molecules is also equally disordered over two sites. Water H atoms and the amino H atom all are involved in an intermolecular hydrogen-bonded network in the crystal.

Highlights

In the title compound, [Co(C7H7N2O4)2(H2O)2]Á3H2O, the CoII cation, located on an inversion center, is N,O-chelated by two 5-carboxy-2-ethyl-1H-imidazole-4-carboxylate anions and further coordinated by two water molecules in a distorted octahedral geometry
One of the lattice water molecules is located on an inversion center, its H atom disordered over two positions
One of H atoms of another lattice water molecules is disordered over two sites

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.005 A; R factor = 0.035; wR factor = 0.102; data-to-parameter ratio = 15.6. In the title compound, [Co(C7H7N2O4)2(H2O)2]Á3H2O, the CoII cation, located on an inversion center, is N,O-chelated by two 5-carboxy-2-ethyl-1H-imidazole-4-carboxylate anions and further coordinated by two water molecules in a distorted octahedral geometry. One carboxy group of the anion is deprotonated, and the two carboxyl groups of the same anion are linked via an intramolecular O—HÁ Á ÁO hydrogen bond. One of the lattice water molecules is located on an inversion center, its H atom disordered over two positions. One of H atoms of another lattice water molecules is disordered over two sites. Water H atoms and the amino H atom all are involved in an intermolecular hydrogen-bonded network in the crystal

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