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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...

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Autores principales: Shan, Shang, Huang, Yan-Lan, Guo, Han-Qi, Li, Deng-Feng, Sun, Jian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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