1-(4-Chloro-benzo-yl)-3-(2,4,6-trichloro-phen-yl)thio-urea hemihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(8)Cl(4)N(2)OS·0.5H(2)O, contains two independent mol-ecules with different conformations with respect to the aromatic ring planes, and one water mol-ecule. The bond lengths and angles are typical of thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The dihedral angles between the two aromatic planes are 66.93 (8) and 60.44 (9)° in the two independent mol-ecules. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular conformation and the crystal packing is characterized by N-H⋯O, O-H⋯S and O-H⋯Cl hydrogen bonds.

SUBMITTER: Khawar Rauf M 

PROVIDER: S-EPMC2968059 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature