Structure and stability of carboxylate complexes. Part IX. Crystal and molecular structure of copper(II) phthalate monohydrate

Abstract

The crystal structure of copper(II) phthalate monohydrate (monoclinic, a= 26·10, b= 9·79, c= 6·67 A, γ= 93·9°, space group B2/b) has been determined by three-dimensional X-ray methods and refined to R= 0·049. Two types of copper atom, one at and the other on the two-fold axis, both have distorted octahedral co-ordination spheres, Each copper atom is bound to two water molecules and four phthalate groups, and each phthalate group is bound to four copper atoms through three of its oxygen atoms. The result is a complex sheet polymer extending through the bc plane. The copper atom at has two water molecules and two phthalate oxygen atoms at 1·962 A(mean) and two more phthalate oxygen atoms at 2·462 A. The copper atom on the two-fold axis has two water molecules at 2·577 A and four phthalate oxygen atoms at 1·938 A(mean). The water molecules form bridges between copper atoms as do the phthalate groups.