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Crystal structure of 1,3-di-cyclo-hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi-thio-ate chloro-form 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 tetra-hedal value of 108.8?(2)°. In the crystal, adjacent mol-ecules are linked via C-H?S hydrogen bonds, forming chains along [100]. The chloro-form solvent mol-ecule, 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.

SUBMITTER: Mallah E 

PROVIDER: S-EPMC4257426 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 1,3-di-cyclo-hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi-thio-ate chloro-form monosolvate.

Mallah Eyad E   Sweidan Kamal K   Abu Dayyih Wael W   Abu Dayyih Wael W   Steimann Manfred M   Sunjuk Mahmoud M  

Acta crystallographica. Section E, Structure reports online 20141105 Pt 12

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 tetra-hedal value of 108.8 (2)°. In the crystal, adjacent mol-ecules are linked via C-H⋯S hydrogen bonds, forming chains along [100]. The chloro-form solvent mol-ecule, which is disordered over two positions [occupancy ratio = 0.51 (2):0.49 (2)], is linked to the c  ...[more]

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