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Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate
The title compound, C(16)H(15)BrN(2)OS(2), was obtained from the condensation reaction of benzyl dithiocarbazate and 2-bromo-5-methoxylbenzaldehyde. In the molecule, the bromomethoxyphenyl ring and dithiocarbazate fragment are located on the opposite sides of the C=N double bond, showing the...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247414/ https://www.ncbi.nlm.nih.gov/pubmed/22220032 http://dx.doi.org/10.1107/S1600536811042826 |
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author | Fan, Zheng Huang, Yan-Lan Wang, Zhao Guo, Han-Qi Shan, Shang |
author_facet | Fan, Zheng Huang, Yan-Lan Wang, Zhao Guo, Han-Qi Shan, Shang |
author_sort | Fan, Zheng |
collection | PubMed |
description | The title compound, C(16)H(15)BrN(2)OS(2), was obtained from the condensation reaction of benzyl dithiocarbazate and 2-bromo-5-methoxylbenzaldehyde. In the molecule, the bromomethoxyphenyl ring and dithiocarbazate fragment are located on the opposite sides of the C=N double bond, showing the E conformation. The dithiocarbazate fragment is approximately planar (r.m.s deviation 0.0187 Å); its mean plane is oriented with respect to the bromomethoxyphenyl and phenyl rings at 7.60 (12) and 60.08 (9)°, respectively. In the crystal, inversion dimers linked by pairs of N—H⋯S hydrogen bonds occur. A short Br⋯Br contact of 3.5526 (12) Å is observed in the crystal structure. |
format | Online Article Text |
id | pubmed-3247414 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32474142012-01-04 Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate Fan, Zheng Huang, Yan-Lan Wang, Zhao Guo, Han-Qi Shan, Shang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(15)BrN(2)OS(2), was obtained from the condensation reaction of benzyl dithiocarbazate and 2-bromo-5-methoxylbenzaldehyde. In the molecule, the bromomethoxyphenyl ring and dithiocarbazate fragment are located on the opposite sides of the C=N double bond, showing the E conformation. The dithiocarbazate fragment is approximately planar (r.m.s deviation 0.0187 Å); its mean plane is oriented with respect to the bromomethoxyphenyl and phenyl rings at 7.60 (12) and 60.08 (9)°, respectively. In the crystal, inversion dimers linked by pairs of N—H⋯S hydrogen bonds occur. A short Br⋯Br contact of 3.5526 (12) Å is observed in the crystal structure. International Union of Crystallography 2011-10-22 /pmc/articles/PMC3247414/ /pubmed/22220032 http://dx.doi.org/10.1107/S1600536811042826 Text en © Fan 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 Fan, Zheng Huang, Yan-Lan Wang, Zhao Guo, Han-Qi Shan, Shang Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate |
title | Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate |
title_full | Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate |
title_fullStr | Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate |
title_full_unstemmed | Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate |
title_short | Benzyl (E)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate |
title_sort | benzyl (e)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247414/ https://www.ncbi.nlm.nih.gov/pubmed/22220032 http://dx.doi.org/10.1107/S1600536811042826 |
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