4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)

In the title 1:1 co-crystal, C(10)H(7)BrN(4)S·C(7)H(5)BrO(2), the triazolothia­diazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromo­phenyl ring. In the carb­oxy­lic acid mol­ecule, the carboxyl group is rotated by 6.4 ...

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Autores principales: Kapoor, Kamini, Gupta, Vivek K., Paul, Satya, Sahi, Seema, Kant, Rajni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344123/
https://www.ncbi.nlm.nih.gov/pubmed/22606126
http://dx.doi.org/10.1107/S1600536812012184
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author Kapoor, Kamini
Gupta, Vivek K.
Paul, Satya
Sahi, Seema
Kant, Rajni
author_facet Kapoor, Kamini
Gupta, Vivek K.
Paul, Satya
Sahi, Seema
Kant, Rajni
author_sort Kapoor, Kamini
collection PubMed
description In the title 1:1 co-crystal, C(10)H(7)BrN(4)S·C(7)H(5)BrO(2), the triazolothia­diazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromo­phenyl ring. In the carb­oxy­lic acid mol­ecule, the carboxyl group is rotated by 6.4 (3)° out of the benzene ring plane. The crystal structure features O—H⋯N and C—H⋯O hydrogen bonds, π–π stacking inter­actions [centroid–centroid distances = 3.713 (2), 3.670 (2) and 3.859 (3) Å] and short S⋯N [2.883 (4) Å] contacts.
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spelling pubmed-33441232012-05-17 4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1) Kapoor, Kamini Gupta, Vivek K. Paul, Satya Sahi, Seema Kant, Rajni Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title 1:1 co-crystal, C(10)H(7)BrN(4)S·C(7)H(5)BrO(2), the triazolothia­diazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromo­phenyl ring. In the carb­oxy­lic acid mol­ecule, the carboxyl group is rotated by 6.4 (3)° out of the benzene ring plane. The crystal structure features O—H⋯N and C—H⋯O hydrogen bonds, π–π stacking inter­actions [centroid–centroid distances = 3.713 (2), 3.670 (2) and 3.859 (3) Å] and short S⋯N [2.883 (4) Å] contacts. International Union of Crystallography 2012-03-24 /pmc/articles/PMC3344123/ /pubmed/22606126 http://dx.doi.org/10.1107/S1600536812012184 Text en © Kapoor et al. 2012 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
Kapoor, Kamini
Gupta, Vivek K.
Paul, Satya
Sahi, Seema
Kant, Rajni
4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)
title 4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)
title_full 4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)
title_fullStr 4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)
title_full_unstemmed 4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)
title_short 4-Bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)
title_sort 4-bromo­benzoic acid–6-(4-bromo­phen­yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344123/
https://www.ncbi.nlm.nih.gov/pubmed/22606126
http://dx.doi.org/10.1107/S1600536812012184
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