Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782214773581021184 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3200894 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT shanshang benzyle32methylbenzylidenedithiocarbazate AT wangzhao benzyle32methylbenzylidenedithiocarbazate AT huangyanlan benzyle32methylbenzylidenedithiocarbazate AT guohanqi benzyle32methylbenzylidenedithiocarbazate AT lidengfeng benzyle32methylbenzylidenedithiocarbazate |