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

The title compound, C(18)H(28)N(2)S(2)·CHCl(3), 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, adjace...

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Autores principales: Mallah, Eyad, Sweidan, Kamal, Abu Dayyih, Wael, Steimann, Manfred, Sunjuk, Mahmoud
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257426/
https://www.ncbi.nlm.nih.gov/pubmed/25553014
http://dx.doi.org/10.1107/S1600536814023800
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author Mallah, Eyad
Sweidan, Kamal
Abu Dayyih, Wael
Steimann, Manfred
Sunjuk, Mahmoud
author_facet Mallah, Eyad
Sweidan, Kamal
Abu Dayyih, Wael
Steimann, Manfred
Sunjuk, Mahmoud
author_sort Mallah, Eyad
collection PubMed
description The title compound, C(18)H(28)N(2)S(2)·CHCl(3), 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.
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spelling pubmed-42574262014-12-31 Crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate Mallah, Eyad Sweidan, Kamal Abu Dayyih, Wael Steimann, Manfred Sunjuk, Mahmoud Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(18)H(28)N(2)S(2)·CHCl(3), 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. International Union of Crystallography 2014-11-05 /pmc/articles/PMC4257426/ /pubmed/25553014 http://dx.doi.org/10.1107/S1600536814023800 Text en © Mallah et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Mallah, Eyad
Sweidan, Kamal
Abu Dayyih, Wael
Steimann, Manfred
Sunjuk, Mahmoud
Crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate
title Crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate
title_full Crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate
title_fullStr Crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate
title_full_unstemmed Crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate
title_short Crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate
title_sort crystal structure of 1,3-di­cyclo­hexyl-4,5-dimethyl-1h-imidazol-3-ium-2-carbodi­thio­ate chloro­form monosolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257426/
https://www.ncbi.nlm.nih.gov/pubmed/25553014
http://dx.doi.org/10.1107/S1600536814023800
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