Aquachlorido(2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) chloride hydrate

Abstract

A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine (L1) is reported. The single-crystal X-ray structure of aqua[aqua/chlorido(0.49/0.51)](2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) 0.49-chloride 1.51-hydrate, [CuCl1.51(C10H13N7S)(H2O)1.49]Cl0.49·1.51H2O or [(L1)Cl1.51(H2O)1.49Cu]0.49Cl·1.51H2O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water. The six-membered metal–chelate ring is in a boat conformation, and short intermolecular S...S interactions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supramolecular interactions as both a hydrogen-bond donor and acceptor, and multiple interactions with lattice solvent water molecules are present in the reported structure.