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Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate
The title compound, C(15)H(13)N(3)O(2)S(2), was obtained from a condensation reaction of benzyl dithiocarbazate and 2-nitrobenzaldehyde. In the molecule, the nearly planar dithiocarbazate fragment [r.m.s deviation = 0.0264 Å] is oriented at dihedral angles of 7.25 (17) and 74.09 (9)°with respect...
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/PMC3213549/ https://www.ncbi.nlm.nih.gov/pubmed/22091126 http://dx.doi.org/10.1107/S1600536811028686 |
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author | Shan, Shang Huang, Yan-Lan Guo, Han-Qi Li, Deng-Feng Sun, Jian |
author_facet | Shan, Shang Huang, Yan-Lan Guo, Han-Qi Li, Deng-Feng Sun, Jian |
author_sort | Shan, Shang |
collection | PubMed |
description | The title compound, C(15)H(13)N(3)O(2)S(2), was obtained from a condensation reaction of benzyl dithiocarbazate and 2-nitrobenzaldehyde. In the molecule, the nearly planar dithiocarbazate fragment [r.m.s deviation = 0.0264 Å] is oriented at dihedral angles of 7.25 (17) and 74.09 (9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4 (7)° to the attached benzene ring. The nitrobenzene ring and dithiocarbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, molecules are linked via intermolecular N—H⋯S hydrogen bonds, forming centrosymmetric supramolecular dimers. Weak C—H⋯π interaction is also observed in the crystal structure. |
format | Online Article Text |
id | pubmed-3213549 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32135492011-11-16 Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate Shan, Shang Huang, Yan-Lan Guo, Han-Qi Li, Deng-Feng Sun, Jian Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(13)N(3)O(2)S(2), was obtained from a condensation reaction of benzyl dithiocarbazate and 2-nitrobenzaldehyde. In the molecule, the nearly planar dithiocarbazate fragment [r.m.s deviation = 0.0264 Å] is oriented at dihedral angles of 7.25 (17) and 74.09 (9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4 (7)° to the attached benzene ring. The nitrobenzene ring and dithiocarbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, molecules are linked via intermolecular N—H⋯S hydrogen bonds, forming centrosymmetric supramolecular dimers. Weak C—H⋯π interaction is also observed in the crystal structure. International Union of Crystallography 2011-07-23 /pmc/articles/PMC3213549/ /pubmed/22091126 http://dx.doi.org/10.1107/S1600536811028686 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 Huang, Yan-Lan Guo, Han-Qi Li, Deng-Feng Sun, Jian Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate |
title | Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate |
title_full | Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate |
title_fullStr | Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate |
title_full_unstemmed | Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate |
title_short | Benzyl 3-[(E)-2-nitrobenzylidene]dithiocarbazate |
title_sort | benzyl 3-[(e)-2-nitrobenzylidene]dithiocarbazate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213549/ https://www.ncbi.nlm.nih.gov/pubmed/22091126 http://dx.doi.org/10.1107/S1600536811028686 |
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