M. Colapietro, A. Domenicano, A. Vaciago
Sep 15, 1976
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Influential Citations
7
Citations
Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
The structure of tetramethylthiuram monosulphide has been determined from 1232 independent nonzero reflexions measured on an automated single-crystal diffractometer. Crystals are monoclinic, space group P2~/c, with a= 10.170 (3), b= 7.464 (2), c= 14.092 (5) A, fl= 110.55 (2) °, Z=4. The structure has been solved by direct methods and refined by full-matrix least squares to a final R of 0-040. The results of a previous analysis by Tashpulatov [Uzbek. Khim. Zh. (1960), pp. 35-40] are shown to be in error. The molecule consists of two approximately planar dimethyldithiocarbamato moieties sharing an S atom; the two planes make an angle of 78"6 °. An S atom from one moiety has a close intramolecular contact (3.112 A) with the spZ-hybridized C of the other; this leads to large differences between corresponding bond angles in the two moieties. It also causes a slight pyramidalization of the sp2-hybridized C atom. A comparison of structural data for a variety of molecules containing the dialkyldithiocarbamato group shows that the S-C-N angles increase regularly with the lengths of the opposite C-S bonds.