Diaquabis(2,2′-bi-1H-imidazole-κ2N3,N3′)nickel(II) bis(3-methylbenzoate) 3-methylbenzoic acid disolvate

Zhou Hui

doi:10.1107/s1600536809044705

Abstract

In the title compound, [Ni(C6H6N4)2(H2O)2](C8H7O2)2·2C8H8O2, the NiII atom (site symmetry ) is coordinated by two N,N′-bidentate 2,2′-biimidazole ligands and two water molecules, resulting in a slightly distorted trans-NiO2N4 geometry for the metal ion. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds, generating an infinite two-dimensional network running parallel to (100). The methyl group of the benzoic acid molecule is disordered over two sites in a 0.563 (17):0.437 (17) ratio.

Highlights

In the title compound, [Ni(C6H6N4)2(H2O)2](C8H7O2)22C8H8O2, the NiII atom is coordinated by two N,N0 -bidentate 2,20 -biimidazole ligands and two water molecules, resulting in a slightly distorted trans-NiO2N4 geometry for the metal ion
The components are linked by N—H O and O—H O hydrogen bonds, generating an infinite two-dimensional network running parallel to (100)
The methyl group of the benzoic acid molecule is disordered over two sites in a 0.563 (17):0.437 (17)

Summary

Zhou Hui

College of Chemistry and Chemical Engineering, Henan University, Kaifeng 475001, People’s Republic of China. H atoms treated by a mixture of independent and constrained refinement max = 2.27 e Å3. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.008 Å; Hatom completeness 87%; disorder in main residue; R factor = 0.091; wR factor =. In the title compound, [Ni(C6H6N4)2(H2O)2](C8H7O2)22C8H8O2, the NiII atom (site symmetry 1) is coordinated by two N,N0 -bidentate 2,20 -biimidazole ligands and two water molecules, resulting in a slightly distorted trans-NiO2N4 geometry for the metal ion. The components are linked by N—H O and O—H O hydrogen bonds, generating an infinite two-dimensional network running parallel to (100). The methyl group of the benzoic acid molecule is disordered over two sites in a 0.563 (17):0.437 (17).

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