cis-Aqua-dichlorido[pyrimidin-2(1H)-one-κN]copper(II)

Abstract

In the title compound, [CuCl(2)(C(4)H(4)N(2)O)(H(2)O)], the Cu(II) cation is coordinated by two chloride anions, one pyrimidin-2-one N atom and one water mol-ecule, giving a slightly distorted square-planar geometry. In the crystal structure, the pyrimidin-2-one rings stack along the b axis, with an inter-planar distance of 3.306 Å, as do the copper coordination planes (inter-planar spacing = 2.998 Å). The coordination around the Jahn-Teller-distorted Cu(II) ion is completed by long Cu⋯O [3.014 (5) Å] and Cu⋯Cl [3.0194 (15) Å] inter-actions with adjacent mol-ecules involved in this stacking. Several N-H⋯Cl, O-H⋯Cl and O-H⋯O inter-molecular hydrogen bonds form a polar three-dimensional network.

Fig. 1.

The molecular stucture of I with atom labels and 50% probability displacement ellipsoids for non-H atoms.

Fig. 2.

Packing of I viewed down the b axis showing the polar packing with various N—H···Cl, O—H···Cl and O—H···O intermolecular hydrogen bonds.

Fig. 3.

π—π stacking of I viewed along the b axis.