Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up–up–down–down (uudd) cyclic water tetramer andX—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-κN4)propan-1-one]copper(II) hexahydrate, [CuCl2(C11H11N3O)4]·6H2O, is isomorphous with that of the corresponding nickel and cobalt compounds. The complex has crystallographic inversion symmetry with the CuIIatom on an inversion centre. Each CuIIatom 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.