Dichlorido[bis(2-ethyl-5-methyl-1H-imidazol-4-yl-κN 3)methane]cobalt(II) monohydrate

In the title compound, [CoCl2(C13H20N4)]·H2O, the CoII atom lies on a mirror plane and is four-coordinated by two N atoms of the imidazole ligand and two Cl atoms in a distorted tetrahedral arrangement. The water molecule participates in the formation of hydrogen bonds, resulting in a three dimensional network involving the Cl atoms and the NH groups. The terminal C atom of the ethyl group is disordered over two sites of equal occupancy.

In the title compound, [CoCl 2 (C 13 H 20 N 4 )]ÁH 2 O, the Co II atom lies on a mirror plane and is four-coordinated by two N atoms of the imidazole ligand and two Cl atoms in a distorted tetrahedral arrangement. The water molecule participates in the formation of hydrogen bonds, resulting in a three dimensional network involving the Cl atoms and the NH groups. The terminal C atom of the ethyl group is disordered over two sites of equal occupancy.

Related literature
For background to the use of imidazole derivatives as catalyts and biocatalysts for dioxygen transport and electron storage, see: Bouwman et al. (2000). For related structures, see: Beznischenko et al. (2007); Pajunen (1981).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PV2382). Comment Imidazole derivatives are used as catalyts and biocatalysts for dioxygen transport and electron storage (Bouwman et al., 2000). As part of our interest in imidazole derivatives, we report here the crystal structure of a new cobalt complex of imidazole derivative.
In the title complex ( Fig. 1), the Co II lies on a mirror plane and displays a tetrahedral coordination with two N atoms of the imidazole ligand and two Cl atoms. The asymmetric unit also contains a solvate water molecule. The distances and angles agree with related structures (Beznischenko et al., 2007;Pajunen, 1981). The terminal C-atom of the ethyl group was disordered over two sites C6 and C6' with equal site occopancy factors.
The water molecule participates in the formation of intricated hydrogen bonds resulting in a three dimensionnal network involving the Cl atoms and the NH groups (Table 1).

Experimental
The ligand and the title complex were prepared by following the procedures reported in the literature (Bouwman, et al., 2000). Single crystals of the title compound as purule prisms were grown from a solution of ethanol by slow evaporation at room temperature within a few days.

Refinement
Although the atoms were visible in difference Fourier maps, they were included in the subsequent refinement using restraints.
The hydrogen atoms were placed geometrically and treated as riding, with O-H = 0.85 Å, N-H = 0.86 Å, and C-H = 0.96 (methyl) or 0.97 Å (methylene) with U iso (H) = 1.5U eq (methyl C) or 1.2U eq (the rest of the parent atoms). Fig. 1. The structure of the title compound with atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. The terminal C-atom of the ethyl group was disordered over sites C6 and C6'. Symmetry code "A" in the labels: x, -y+1/2, z.