Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione

In the title mol­ecule, C(17)H(15)ClN(4)S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N—H⋯S hydrogen bonds form inversion dimers with graph-set notation R (2) (2)(8). Wea...

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Autores principales: Kamni, Sarojini, B. K., Manjula, P. S., Narayana, B., Anthal, Sumati, Kant, Rajni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186062/
https://www.ncbi.nlm.nih.gov/pubmed/25309199
http://dx.doi.org/10.1107/S1600536814018352
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author Kamni,
Sarojini, B. K.
Manjula, P. S.
Narayana, B.
Anthal, Sumati
Kant, Rajni
author_facet Kamni,
Sarojini, B. K.
Manjula, P. S.
Narayana, B.
Anthal, Sumati
Kant, Rajni
author_sort Kamni,
collection PubMed
description In the title mol­ecule, C(17)H(15)ClN(4)S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N—H⋯S hydrogen bonds form inversion dimers with graph-set notation R (2) (2)(8). Weak C—H⋯S hydrogen bonds link these dimers into layers parallel to (100). Weak intra­molecular C—H⋯S and C—H⋯N contacts are observed.
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spelling pubmed-41860622014-10-12 Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione Kamni, Sarojini, B. K. Manjula, P. S. Narayana, B. Anthal, Sumati Kant, Rajni Acta Crystallogr Sect E Struct Rep Online Data Reports In the title mol­ecule, C(17)H(15)ClN(4)S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N—H⋯S hydrogen bonds form inversion dimers with graph-set notation R (2) (2)(8). Weak C—H⋯S hydrogen bonds link these dimers into layers parallel to (100). Weak intra­molecular C—H⋯S and C—H⋯N contacts are observed. International Union of Crystallography 2014-08-16 /pmc/articles/PMC4186062/ /pubmed/25309199 http://dx.doi.org/10.1107/S1600536814018352 Text en © Kamni et al. 2014 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 Data Reports
Kamni,
Sarojini, B. K.
Manjula, P. S.
Narayana, B.
Anthal, Sumati
Kant, Rajni
Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_short Crystal structure of 4-[(E)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_sort crystal structure of 4-[(e)-(4-chloro­benzyl­idene)amino]-3-(2-methyl­benz­yl)-1h-1,2,4-triazole-5(4h)-thione
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186062/
https://www.ncbi.nlm.nih.gov/pubmed/25309199
http://dx.doi.org/10.1107/S1600536814018352
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