Crystal structure of 1,3-dicyclohexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodithioate chloroform monosolvate

Abstract

The title compound, C18H28N2S2·CHCl3, crystallizes as a zwitterion. The C—S bonds are almost equivalent, with lengths of 1.666 (3) and 1.657 (3) Å. The S—C—S bond angle is expanded to 129.54 (16)° and the N—C—N angle is reduced to the tetrahedal value of 108.8 (2)°. In the crystal, adjacent molecules are linked via C—H...S hydrogen bonds, forming chains along [100]. The chloroform solvent molecule, which is disordered over two positions [occupancy ratio = 0.51 (2):0.49 (2)], is linked to the chain by bifurcated C—H...(S,S) hydrogen bonds.

Keywords

• crystal structure
• imidazole
• carbodithioate
• zwitterion