4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione

In the title compound, C(21)H(23)BrN(4)S, the 4-bromo­benzyl­idene group is disordered over two orientations with occupancies of 0.504 (5) and 0.496 (5). One of the methyl groups of the isobutyl unit is disordered over two sites with occupancies of 0.751 (19) and 0.249 (19). The benzene rings of the...

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Autores principales: Fun, Hoong-Kun, Jebas, Samuel Robinson, Sujith, K. V., Kalluraya, Balakrishna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969682/
https://www.ncbi.nlm.nih.gov/pubmed/21583193
http://dx.doi.org/10.1107/S1600536809018030
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author Fun, Hoong-Kun
Jebas, Samuel Robinson
Sujith, K. V.
Kalluraya, Balakrishna
author_facet Fun, Hoong-Kun
Jebas, Samuel Robinson
Sujith, K. V.
Kalluraya, Balakrishna
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(21)H(23)BrN(4)S, the 4-bromo­benzyl­idene group is disordered over two orientations with occupancies of 0.504 (5) and 0.496 (5). One of the methyl groups of the isobutyl unit is disordered over two sites with occupancies of 0.751 (19) and 0.249 (19). The benzene rings of the isobutylphenyl and bromo­phenyl (major disorder component) groups form dihedral angles of 71.63 (11) and 21.8 (3)°, respectively, with the triazole ring. In the crystal, centrosymmetrically related mol­ecules exist as centrosymmetric N—H⋯S hydrogen-bonded dimers.
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spelling pubmed-29696822010-12-30 4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione Fun, Hoong-Kun Jebas, Samuel Robinson Sujith, K. V. Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(23)BrN(4)S, the 4-bromo­benzyl­idene group is disordered over two orientations with occupancies of 0.504 (5) and 0.496 (5). One of the methyl groups of the isobutyl unit is disordered over two sites with occupancies of 0.751 (19) and 0.249 (19). The benzene rings of the isobutylphenyl and bromo­phenyl (major disorder component) groups form dihedral angles of 71.63 (11) and 21.8 (3)°, respectively, with the triazole ring. In the crystal, centrosymmetrically related mol­ecules exist as centrosymmetric N—H⋯S hydrogen-bonded dimers. International Union of Crystallography 2009-05-20 /pmc/articles/PMC2969682/ /pubmed/21583193 http://dx.doi.org/10.1107/S1600536809018030 Text en © Fun et al. 2009 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
Fun, Hoong-Kun
Jebas, Samuel Robinson
Sujith, K. V.
Kalluraya, Balakrishna
4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title 4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_full 4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_short 4-[(E)-4-Bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-[(e)-4-bromo­benzyl­ideneamino]-3-[1-(4-isobutyl­phen­yl)eth­yl]-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969682/
https://www.ncbi.nlm.nih.gov/pubmed/21583193
http://dx.doi.org/10.1107/S1600536809018030
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