Crystal structures of 3-phenylpropenal thiosemicarbazone and its nickel and zinc chelates

3-Phenylpropenal thiosemicarbazone hydrate C6H5-HC=CH-CH=N-NH-(S)-NH2 center dot H2O (HL center dot H2O, I) and two chelates [Ni(L)(2)] center dot nCH(3)OH (II) and [Zn(L)(2)] (III) are studied by X-ray diffraction. The crystals of I are orthorhombic: a = 6.227(1) angstrom, b = 7.763(2) angstrom, c = 25.585(5) angstrom, beta = 90, space group P2(1)2(1)2(1), Z = 4, R = 0.0426. A nonplanar molecule of I has an E conformation. The crystals of II are triclinic: a = 6.551(2) angstrom, b = 10.752(3) angstrom, c = 10.885(3) angstrom, alpha = 64.751(5), beta = 82.753(5)degrees, gamma = 89.857(5)degrees, space group P (1) over bar, Z = 1, R = 0.0661. In a centrosymmetric molecule of II, the central atom coordinates two deprotonated ligands L through the immine nitrogen atom and thioamide sulfur atom at the vertices of a distorted square. The crystals of III are monoclinic: a = 25.342(2) angstrom, b = 9.150(2) angstrom, c = 21.340(3) angstrom, alpha = 90, beta = 111.84(2), gamma = 90 degrees, space group C2/c, Z = 8, R = 0.0556. In a molecule of complex 111, two deprotonated bidentate ligands L are coordinated by the zinc ion through the immine nitrogen atoms and thioamide sulfur atoms to form a distorted tetrahedron at the central atom. In both II and III, ligand L after coordination by the metal ion changes the E conformation with respect to the N(1)-C(2) bond for the Z conformation. In crystals I-III, molecules are packed to form infinite layers parallel to the planes (001) and (010).