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Di-μ-chlorido-bis-[dichlorido(3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium-κN)copper(II)] dihydrate.

ABSTRACT: The structure of the centrosymmetric title compound, [Cu(2)Cl(6)(C(10)H(15)N(4))(2)]·2H(2)O, consists of a dimeric [{(HMe(4)bpz)CuCl(3)}(2)] unit (HMe(4)bpz is 3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium) with two solvent water molecules. Each [HMe(4)bpz](+) cation is bonded to a CuCl(3) unit through a Cu-N dative bond, effectively making square-planar geometry at the Cu atom. Two of these units then undergo a face-to-face dimerization so that the Cu atoms have a Jahn-Teller distorted square-pyramidal geometry with three chlorides and an N atom in the basal plane and one chloride weakly bound in the apical position. Several N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds form a three-dimensional network.

SUBMITTER: Kurawa MA

PROVIDER: S-EPMC2961969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:In the crystal of the title compound, C18H14O10·2H2O, the arene rings of the biphenyl moiety are tilted at an angle of 24.3 (1)°, while the planes passing through the carboxyl groups are rotated at angles of 8.6 (1) and 7.7 (1)° out of the plane of the benzene ring to which they are attached. The crystal structure is essentially stabilized by O-H⋯O bonds. Here, the carboxyl groups of neighbouring host mol-ecules are connected by cyclic R 2 2(8) synthons, leading to the formation of a three-dimensional network. The water mol-ecules in turn form helical supra-molecular strands running in the direction of the crystallographic c-axis (chain-like water clusters). The second H atom of each water mol-ecule provides a link to a meth-oxy O atom of the host mol-ecule. A Hirshfeld surface analysis was performed to qu-antify the contributions of the different inter-molecular inter-actions, indicating that the most important contributions to the crystal packing are from H⋯O/O⋯H (37.0%), H⋯H (26.3%), H⋯C/C⋯H (18.5%) and C⋯O/O⋯C (9.5%) inter-actions.

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