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Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate
In the title compound, C(15)H(16)N(2)S(3) {systematic name: [({[(4-methylphenyl)methyl]sulfanyl}methanethioyl)amino][1-(thiophen-2-yl)ethylidene]amine}, the central CN(2)S(2) residue is almost planar (r.m.s. deviation = 0.0061 Å) and forms dihedral angles of 7.39 (10) and 64.91 (5)° with the...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518925/ https://www.ncbi.nlm.nih.gov/pubmed/26279916 http://dx.doi.org/10.1107/S205698901501107X |
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author | Ramli, Syahirah binti Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. |
author_facet | Ramli, Syahirah binti Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. |
author_sort | Ramli, Syahirah binti |
collection | PubMed |
description | In the title compound, C(15)H(16)N(2)S(3) {systematic name: [({[(4-methylphenyl)methyl]sulfanyl}methanethioyl)amino][1-(thiophen-2-yl)ethylidene]amine}, the central CN(2)S(2) residue is almost planar (r.m.s. deviation = 0.0061 Å) and forms dihedral angles of 7.39 (10) and 64.91 (5)° with the thienyl and p-tolyl rings, respectively; the dihedral angle between these rings is 57.52 (6)°. The non-thione S atoms are syn, and with respect to the thione S atom, the benzyl group is anti. In the crystal, centrosymmetrically related molecules self-associate via eight-membered {⋯HNCS}(2) synthons. The dimeric aggregates stack along the a axis and are are consolidated into a three-dimensional architecture via methyl-C—H⋯π(benzene) and benzene-C—H⋯π(thienyl) interactions. |
format | Online Article Text |
id | pubmed-4518925 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189252015-08-14 Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate Ramli, Syahirah binti Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(15)H(16)N(2)S(3) {systematic name: [({[(4-methylphenyl)methyl]sulfanyl}methanethioyl)amino][1-(thiophen-2-yl)ethylidene]amine}, the central CN(2)S(2) residue is almost planar (r.m.s. deviation = 0.0061 Å) and forms dihedral angles of 7.39 (10) and 64.91 (5)° with the thienyl and p-tolyl rings, respectively; the dihedral angle between these rings is 57.52 (6)°. The non-thione S atoms are syn, and with respect to the thione S atom, the benzyl group is anti. In the crystal, centrosymmetrically related molecules self-associate via eight-membered {⋯HNCS}(2) synthons. The dimeric aggregates stack along the a axis and are are consolidated into a three-dimensional architecture via methyl-C—H⋯π(benzene) and benzene-C—H⋯π(thienyl) interactions. International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518925/ /pubmed/26279916 http://dx.doi.org/10.1107/S205698901501107X Text en © Ramli et al. 2015 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 Ramli, Syahirah binti Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate |
title | Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate |
title_full | Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate |
title_fullStr | Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate |
title_full_unstemmed | Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate |
title_short | Crystal structure of 4-methylbenzyl N′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate |
title_sort | crystal structure of 4-methylbenzyl n′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518925/ https://www.ncbi.nlm.nih.gov/pubmed/26279916 http://dx.doi.org/10.1107/S205698901501107X |
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