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Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride

In the title salt of an S-substituted di­thio­carbazate, C(16)H(16)N(3)S(2) (+)·Cl(−), the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN(2)S(2) residue and the terminal pyridinium and phenyl rings are 80.09 (11) and 3.82 (11)°, respectively, indicating the cation h...

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Autores principales: Low, May Lee, Ravoof, Thahira Begum S. A., Tahir, Mohamed Ibrahim Mohamed, Crouse, Karen A., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257274/
https://www.ncbi.nlm.nih.gov/pubmed/25484832
http://dx.doi.org/10.1107/S1600536814023228
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author Low, May Lee
Ravoof, Thahira Begum S. A.
Tahir, Mohamed Ibrahim Mohamed
Crouse, Karen A.
Tiekink, Edward R. T.
author_facet Low, May Lee
Ravoof, Thahira Begum S. A.
Tahir, Mohamed Ibrahim Mohamed
Crouse, Karen A.
Tiekink, Edward R. T.
author_sort Low, May Lee
collection PubMed
description In the title salt of an S-substituted di­thio­carbazate, C(16)H(16)N(3)S(2) (+)·Cl(−), the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN(2)S(2) 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 mol­ecule. In the crystal, supra­molecular 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 inter­actions between them.
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spelling pubmed-42572742014-12-05 Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride Low, May Lee Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Crouse, Karen A. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title salt of an S-substituted di­thio­carbazate, C(16)H(16)N(3)S(2) (+)·Cl(−), the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN(2)S(2) 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 mol­ecule. In the crystal, supra­molecular 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 inter­actions between them. International Union of Crystallography 2014-10-29 /pmc/articles/PMC4257274/ /pubmed/25484832 http://dx.doi.org/10.1107/S1600536814023228 Text en © Low 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
Low, May Lee
Ravoof, Thahira Begum S. A.
Tahir, Mohamed Ibrahim Mohamed
Crouse, Karen A.
Tiekink, Edward R. T.
Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride
title Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride
title_full Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride
title_fullStr Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride
title_full_unstemmed Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride
title_short Crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride
title_sort crystal structure of 2-{[2-(3-phenyl­allyl­idene)hydrazin-1-yl]thio­carbonyl­sulfanylmeth­yl}pyridinium chloride
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257274/
https://www.ncbi.nlm.nih.gov/pubmed/25484832
http://dx.doi.org/10.1107/S1600536814023228
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