title: Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up-up-down-down (uudd) cyclic water tetramer and X-H...Cl (X = O and C) hydrogen-bonding interactions.
abstract: The crystal structure of the title complex, trans-dichloridotetrakis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN(4))propan-1-one]copper(II) hexahydrate, [CuCl(2)(C(11)H(11)N(3)O)(4)]·6H(2)O, is isomorphous with that of the corresponding nickel and cobalt compounds. The complex has crystallographic inversion symmetry with the Cu(II) atom on an inversion centre. Each Cu(II) atom is six-coordinated by one N atom from each of the four 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in the equatorial plane and by two chloride ligands in axial positions. The structure includes a centrosymmetric irregular up-up-down-down (uudd) water tetramer cluster and O-H...Cl hydrogen bonds. Intermolecular C-H...Cl hydrogen bonds exist between adjacent molecules, resulting in a three-dimensional supramolecular network.
authors.affiliation: College of Chemistry, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, Tianjin Normal University, People's Republic of China. guojianhua1998@163.com
authors.forename: Jian Hua
authors.initials: JH
authors.lastname: Guo