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Cis-Di-aqua-tetra-kis-(1-butyl-1H-imidazole-?N (3))nickel(II) dichloride.

ABSTRACT: In the title compound, [Ni(C7H12N2)4(H2O)2]Cl2, the nickel(II) ion has a distorted octa-hedral coordination environment. It is surrounded by three N atoms and one O atom occupying the equatorial plane, and one N and one O atom in the axial positions. The imidazole ring systems are inclined to one another with dihedral angles varying between 38.3?(4) and 74.1?(4)°. In the crystal, mol-ecules are linked via O-H?Cl hydrogen bonds involving one Cl(-) anion and the water mol-ecule in the equatorial plane, forming an inversion dimer-like arrangement. The water mol-ecule in the axial position is hydrogen-bonded to both Cl(-) anions. There are also a number of C-H?Cl hydrogen bonds present, forming a three-dimensional structure. All four alkyl chains are disordered over two positions with refined occupancy ratios of 0.395?(15):0.605?(15), 0.658?(14):0.342?(14), 0.332?(11):0.668?(11) and 0.622?(12):0.378?(12).

SUBMITTER: Kannan PS

PROVIDER: S-EPMC3884482 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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cis-Di-aqua-tetra-kis-(1-butyl-1H-imidazole-κN (3))nickel(II) dichloride.

Kannan P S PS Ganeshraja A S AS Rajkumar K K Anbalagan K K Subbiahpandi A A

Acta crystallographica. Section E, Structure reports online 20130817 Pt 9

In the title compound, [Ni(C7H12N2)4(H2O)2]Cl2, the nickel(II) ion has a distorted octa-hedral coordination environment. It is surrounded by three N atoms and one O atom occupying the equatorial plane, and one N and one O atom in the axial positions. The imidazole ring systems are inclined to one another with dihedral angles varying between 38.3 (4) and 74.1 (4)°. In the crystal, mol-ecules are linked via O-H⋯Cl hydrogen bonds involving one Cl(-) anion and the water mol-ecule in the equatorial p ...[more]

PMID: 24426994

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