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

The crystal structure of the title complex, trans‐dichloridotetrakis1‐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 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.