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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 E, Sweidan K, Abu Dayyih W, Steimann M, Sunjuk M - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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].

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Affiliation: Faculty of Pharmacy and Medical Science, University of Petra, Amman, Jordan.

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.

No MeSH data available.


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The molecular structure of the title molecule, with atom labelling. Displacement ellipsoids are drawn at the 20% probability level.
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Fap1: The molecular structure of the title molecule, with atom labelling. Displacement ellipsoids are drawn at the 20% probability level.


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

Mallah E, Sweidan K, Abu Dayyih W, Steimann M, Sunjuk M - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the title molecule, with atom labelling. Displacement ellipsoids are drawn at the 20% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257426&req=5

Fap1: The molecular structure of the title molecule, with atom labelling. Displacement ellipsoids are drawn at the 20% probability level.
Bottom Line: 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].

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Pharmacy and Medical Science, University of Petra, Amman, Jordan.

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.

No MeSH data available.


Related in: MedlinePlus