Crystal and molecular structure of dicyclopentamethylenethiuram monosulphide [thiobis-NN-(thiocarbonylpiperidine)]

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.