Metal-(phenylthio)acetic acid interactions. Part 1. The crystal structures of (phenylthio)acetic acid, diaqubis[(phenylthio)acetato]zinc(II), and catena{aquabis[(phenylthio)acetato]cadmium(II)}

Abstract

Crystal structures of (phenykthio)acetic acid (PTAH) ( 1), and the zinc( II) and cadmium( II) complexes of the PTAH have been determined by X-ray diffraction. The acid, PTAH, is monoclinic, space group P2 2/n, with Z = 4 in a cell of dimension a = 7.666(1), b = 5.638(1), c = 18.939(2) Å, β = 99.33(1)°. The molecules are planar and exist as centrosymmetric hydrogen bonded cyclic dimers. The thioacetic sode chain has synplanar-synplanar conformation. The Zn(II) complex, [Zn(PTA) 2(H 2O) 2], (2), is monoclinic, space group C2/c, with Z = 4, in a cell of dimensions, a = 32.048(11), b = 5.314(2), c = 10.725(3) Å, β = 101.20(2)°. (2) is monomeric with a distorted octahedral MO 6 coordination involving four oxygens from two symmetrical bidentate PTA carboxyl groups [ZnO, 2.176(4), 2.204(3) Å] and two form cis-related waters [ZnO, 2.002(4)]. [Cd(PTA) 2(H 2O)] n (3) is orthohombric, space group Pca2 1, Z = 4, with a = 33.826(8), b = 5.119(1), c = 9.872(3) Å, having an octahedral MO 5S coordination sphere consisting of one water [CdO, 2.294(10) Å], an oxygen and a sulphur from one PTA ligand [Cd), 2.335(10) Å, CdS, 2.738(5) Å] and an oxygen from the second PTA ligand [CdO, 2.276(10) Å]. The second carboxyl oxygen from each PTA ligand complexes the fifth and sixth coordination sites [Cd), 2.263(12), 2.254(10) Å] and bridges adjacent complex centres giving a polymeric structure.