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2-Oxo-1,2-dihydro-pyrimidin-3-ium di-?-chlorido-bis-{dichloridobis[pyrimidin-2(1H)-one-?N]cuprate(II)} dihydrate.

ABSTRACT: The asymmetric unit of the title compound, (C(4)H(5)N(2)O)(2)[Cu(2)Cl(6)(C(4)H(4)N(2)O)(2)]·2H(2)O, consists of one cation, one half of a centrosymmetric dianion and one water mol-ecule. The centrosymmetric dianion formed by dimerization in the crystal structure has neutral pyrimidin-2-one ligands coordinated to each copper(II) centre through Cu-N bonds. The Cu atoms each have a distorted trigonal bipyramidal geometry, with the N atom of the pyrimidin-2-one ligand in an axial position, and dimerize by sharing two equatorial Cl atoms. N-H?Cl, O-H?Cl and N-H?O hydrogen bonds connect the anions, cations and water mol-ecules, forming a three-dimensional network.

SUBMITTER: Kurawa MA

PROVIDER: S-EPMC2961836 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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2-Oxo-1,2-dihydro-pyrimidin-3-ium di-μ-chlorido-bis-{dichloridobis[pyrimidin-2(1H)-one-κN]cuprate(II)} dihydrate.

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

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

The asymmetric unit of the title compound, (C(4)H(5)N(2)O)(2)[Cu(2)Cl(6)(C(4)H(4)N(2)O)(2)]·2H(2)O, consists of one cation, one half of a centrosymmetric dianion and one water mol-ecule. The centrosymmetric dianion formed by dimerization in the crystal structure has neutral pyrimidin-2-one ligands coordinated to each copper(II) centre through Cu-N bonds. The Cu atoms each have a distorted trigonal bipyramidal geometry, with the N atom of the pyrimidin-2-one ligand in an axial position, and dimer ...[more]

PMID: 21202780

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