Crystal and molecular structure of triaquazinc(II) thiodiglycolate monohydrate

Abstract

Crystals of the title compound are orthorhombic, space group P2₁2₁2₁, with a= 7·589(7), b= 9·289(8), c= 14·168(11)Å, Z= 4. The structure was determined from Patterson and Fourier syntheses and refined by least-squares to R 0·041 for 1373 independent reflections measured on a diffractometer. The zinc atom has a distorted octahedral environment, being weakly bonded to a sulphur atom [2·601(2)Å] and five oxygen atoms, one from each of two carboxy-groups [2·029(5), 2·102(5)Å], the remainder from three mutually cis water molecules [2·050(5), 2·016(5), 2·098(5)Å]. The two five-membered rings are significantly non-planar. The molecule is considerably distorted from m symmetry, as is shown particularly by the ring conformations and dimensions involving zinc. There is extensive hydrogen bonding.