Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium

The crystal structure of catena-bis(2-thiobarbiturato-O,S)diaquacadmium (C8H10CdN4O6S2) (n) (I), [Cd(H2O)(2)(HTBA)(2)] (n) (C4H4N2O2S is 2-thiobarbituric acid, H(2)TBA) has been determined. The crystals of compound I are triclinic, a = 6.9433(3) , b = 7.2257(3) , c = 7.4047(3) , alpha = 88.559(2)A degrees, beta = 75.346(2)A degrees, gamma = 111.687(1)A degrees, V = 331.05(3) (3), space group , Z = 1. The Cd2+ ion is coordinated to the two oxygen atoms of water molecules and the two oxygen and two sulfur atoms of four HTBA(-) ions at the vertices of an octahedron. Octahedra are linked by bridging mu(2)-HTBA(-)-O,S ions into infinite chains. Intermolecular hydrogen bonds form infinite chains. The structure is also stabilized by the pi-pi interaction of HTBA(-) ions.