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Cis-Aqua-dichlorido[pyrimidin-2(1H)-one-?N]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.

SUBMITTER: Kurawa MA

PROVIDER: S-EPMC2961748 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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

Kurawa Mukhtar A MA Adams Christopher J CJ Orpen A Guy AG

Acta crystallographica. Section E, Structure reports online 20080628 Pt 7

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 ...[more]

PMID: 21202815

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