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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4257274 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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