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Thiobenzamide and thionicotnamide S-oxide were prepared as intermediates in the dimerization of corresponding thioamides to 1,2,4-thiadiazoles and the X-ray crystal structure of thionicotinamide S-oxide water solvate was determined. Crystals belong to orthorhombic Pbca space group with a = 14.129(3), b = 7.299(2), c = 15.277(3)Å, and Z = 8. The geometry of the molecule accords well with that found in similar compounds; an intramolecular N–H···O hydrogen bond is present, while the packing is mainly determined by the hydrogen bond system involving the water molecule and the side-chain of the organic molecule. The contacts between pyridine moieties, stacked along the [010] axis, complete the packing. [ABSTRACT FROM AUTHOR]

New complexes of copper(I) with N,N′-dialkylsubstituted imidazolidine-2-thione ligands were prepared by reduction of CuX (X = Cl or Br). The i.r. spectra show that in all the complexes the ligand coordinates through the sulphur atom. The crystal structure of chloro-bis( N,N′-dimethylimidazolidine-2-thione)copper(I) has been determined from x-ray diffraction data. Crystals are monoclinic. space group C, with unit cell dimensions: a = 16.022(15), b = 9.942(10), c = 15.112(15) A, β = 139.84(10), Z = 4. The final R index is 5.2%. The copper coordination is trigonal, involving sulphur atoms of the two ligands and One chlorine atom. The steric effect of the two methyls imposes a rotation of the imidazolidine rings with respect to the coordination plane. The dihedral angle between the mean plane of thiourea moieties. parallel one with the other. and the coordination plane is 119.3°. [ABSTRACT FROM AUTHOR]