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Crystal structure of 2-{[2-(3-phenyl-allyl-idene)hydrazin-1-yl]thio-carbonyl-sulfanylmeth-yl}pyridinium chloride.

ABSTRACT: In the title salt of an S-substituted di-thio-carbazate, C16H16N3S2 (+)·Cl(-), the dihedral angles between the almost planar (r.m.s deviation = 0.005?Å) central CN2S2 residue and the terminal pyridinium and phenyl rings are 80.09?(11) and 3.82?(11)°, respectively, indicating the cation has an L-shape; the amine H and thione S atoms are syn. The conformation about each of the imine [1.376?(3)?Å] and ethene [1.333?(4)?Å] bonds is E. The shortened C-C bond [1.444?(4)?Å] linking the double bonds is consistent with conjugation in this part of the mol-ecule. In the crystal, supra-molecular layers with a jagged topology are formed by charged-assisted amine-H?Cl(-) and pyridinium-N(+)-H?Cl(-) hydrogen bonds. The layers stack along the a axis with no specific directional inter-actions between them.

SUBMITTER: Low ML 

PROVIDER: S-EPMC4257274 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2-{[2-(3-phenyl-allyl-idene)hydrazin-1-yl]thio-carbonyl-sulfanylmeth-yl}pyridinium chloride.

Low May Lee ML   Ravoof Thahira Begum S A TB   Tahir Mohamed Ibrahim Mohamed MI   Crouse Karen A KA   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20141029 Pt 11

In the title salt of an S-substituted di-thio-carbazate, C16H16N3S2 (+)·Cl(-), the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN2S2 residue and the terminal pyridinium and phenyl rings are 80.09 (11) and 3.82 (11)°, respectively, indicating the cation has an L-shape; the amine H and thione S atoms are syn. The conformation about each of the imine [1.376 (3) Å] and ethene [1.333 (4) Å] bonds is E. The shortened C-C bond [1.444 (4) Å] linking the double bonds is  ...[more]

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