Crystal and molecular structure of dicyclopentamethylenethiuram monosulphide [thiobis-NN-(thiocarbonylpiperidine)]
- 1 January 1970
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society B: Physical Organic
- p. 1296-1303
- https://doi.org/10.1039/j29700001296
Abstract
The crystal structure of dicyclopentamethylenethiuram monosulphide [thiobis-NN-(thiocarbonylpiperidine)] C12H20N2S3, has been determined to gain structural information about the two dithiocarbamate groups in the molecule. Crystals are monoclinic, space group P21/c, with Z= 4 in a unit cell of dimensions a= 9·870(3), b= 11·200(3), c= 13·333(4)Å, and β= 95°56′(2′). The structure was solved by the symbolic addition method and has been refined to a conventional R of 0·073 for 2013 reflexions measured by counter methods. The molecular conformation is determined by the two essentially planar dithiocarbamate groups. Some comparisons of CS bond lengths are made with those determined for other molecules.Keywords
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