cis-Aquadichlorido[pyrimidin-2(1H)-one-κN3]copper(II)

In the title compound, [CuCl2(C4H4N2O)(H2O)], the CuII cation is coordinated by two chloride anions, one pyrimidin-2-one N atom and one water molecule, giving a slightly distorted square-planar geometry. In the crystal structure, the pyrimidin-2-one rings stack along the b axis, with an interplanar...

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Bibliographic Details
Main Authors: A. Guy Orpen, Christopher J. Adams, Mukhtar A. Kurawa
Format: Article
Language:English
Published: International Union of Crystallography 2008-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808018771
Description
Summary:In the title compound, [CuCl2(C4H4N2O)(H2O)], the CuII cation is coordinated by two chloride anions, one pyrimidin-2-one N atom and one water molecule, giving a slightly distorted square-planar geometry. In the crystal structure, the pyrimidin-2-one rings stack along the b axis, with an interplanar distance of 3.306 Å, as do the copper coordination planes (interplanar spacing = 2.998 Å). The coordination around the Jahn–Teller-distorted CuII ion is completed by long Cu...O [3.014 (5) Å] and Cu...Cl [3.0194 (15) Å] interactions with adjacent molecules involved in this stacking. Several N—H...Cl, O—H...Cl and O—H...O intermolecular hydrogen bonds form a polar three-dimensional network.
ISSN:1600-5368