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Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate

The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio­carbazate and 2-methyl­benzaldehyde. The asymmetric unit contains two independent mol­ecules. In both mol­ecules, the methyl­phenyl ring and the dithio­carbazate fragment are located on opposite side...

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Autores principales: Shan, Shang, Wang, Zhao, Huang, Yan-Lan, Guo, Han-Qi, Li, Deng-Feng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200894/
https://www.ncbi.nlm.nih.gov/pubmed/22059047
http://dx.doi.org/10.1107/S1600536811033113
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author Shan, Shang
Wang, Zhao
Huang, Yan-Lan
Guo, Han-Qi
Li, Deng-Feng
author_facet Shan, Shang
Wang, Zhao
Huang, Yan-Lan
Guo, Han-Qi
Li, Deng-Feng
author_sort Shan, Shang
collection PubMed
description The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio­carbazate and 2-methyl­benzaldehyde. The asymmetric unit contains two independent mol­ecules. In both mol­ecules, the methyl­phenyl ring and the dithio­carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each mol­ecule, the dithio­carbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025 Å. The mean plane of dithio­carbazate group is oriented at dihedral angles of 7.9 (3) and 68.24 (12)°, respectively, to the methyl­phenyl and phenyl rings in one mol­ecule, while the corresponding angles in the other mol­ecule are 10.9 (3) and 69.76 (16)°. Inter­molecular N—H⋯S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules.
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spelling pubmed-32008942011-11-06 Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate Shan, Shang Wang, Zhao Huang, Yan-Lan Guo, Han-Qi Li, Deng-Feng Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio­carbazate and 2-methyl­benzaldehyde. The asymmetric unit contains two independent mol­ecules. In both mol­ecules, the methyl­phenyl ring and the dithio­carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each mol­ecule, the dithio­carbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025 Å. The mean plane of dithio­carbazate group is oriented at dihedral angles of 7.9 (3) and 68.24 (12)°, respectively, to the methyl­phenyl and phenyl rings in one mol­ecule, while the corresponding angles in the other mol­ecule are 10.9 (3) and 69.76 (16)°. Inter­molecular N—H⋯S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200894/ /pubmed/22059047 http://dx.doi.org/10.1107/S1600536811033113 Text en © Shan et al. 2011 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 Organic Papers
Shan, Shang
Wang, Zhao
Huang, Yan-Lan
Guo, Han-Qi
Li, Deng-Feng
Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate
title Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate
title_full Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate
title_fullStr Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate
title_full_unstemmed Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate
title_short Benzyl (E)-3-(2-methyl­benzyl­idene)dithio­carbazate
title_sort benzyl (e)-3-(2-methyl­benzyl­idene)dithio­carbazate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200894/
https://www.ncbi.nlm.nih.gov/pubmed/22059047
http://dx.doi.org/10.1107/S1600536811033113
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