Diaquabis(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purinato-κN7)copper(II) dihydrate

Abstract

The title mononuclear copper(II) complex, [Cu(C7H6ClN4O2)2(H2O)2]·2H2O, based on 8-chlorotheophylline (HCt), has the Cu atom at a center of symmetry in a slightly distorted trans square-planar geometry coordinated by two N atoms of two deprotonated HCt ligands and two O atoms of water molecules. The crystal packing is stabilized by hydrogen bonds involving deprotonated HCt ligands, coordinated water molecules and uncoordinated solvent water molecules.