4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid

In the title compound, C(15)H(11)BrN(4)O(2)S, the tetra­zole ring makes dihedral angles of 45.97 (10) and 75.41 (1)°, respectively, with the benzoyl and bromo­benzene rings while the dihedral angle between the benzene rings is 73.77 (1)°. In the crystal, mol­ecules are linked through O—H⋯ N and C—H⋯...

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Detalles Bibliográficos
Autores principales: Mafud, Ana C., Mascarenhas, Yvonne P., Nascimento, Alessandro S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770362/
https://www.ncbi.nlm.nih.gov/pubmed/24046647
http://dx.doi.org/10.1107/S1600536813014840
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author Mafud, Ana C.
Mascarenhas, Yvonne P.
Nascimento, Alessandro S.
author_facet Mafud, Ana C.
Mascarenhas, Yvonne P.
Nascimento, Alessandro S.
author_sort Mafud, Ana C.
collection PubMed
description In the title compound, C(15)H(11)BrN(4)O(2)S, the tetra­zole ring makes dihedral angles of 45.97 (10) and 75.41 (1)°, respectively, with the benzoyl and bromo­benzene rings while the dihedral angle between the benzene rings is 73.77 (1)°. In the crystal, mol­ecules are linked through O—H⋯ N and C—H⋯ O hydrogen bonds, giving infinite chains in both the [110] and [1-10] directions. These chains are further connected by C—Br⋯π and C—O⋯π inter­actions and also by π–π stacking between tetra­zole rings [centroid–centroid distance = 3.312 (1) Å], generating a three-dimensional network.
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spelling pubmed-37703622013-09-17 4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid Mafud, Ana C. Mascarenhas, Yvonne P. Nascimento, Alessandro S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(11)BrN(4)O(2)S, the tetra­zole ring makes dihedral angles of 45.97 (10) and 75.41 (1)°, respectively, with the benzoyl and bromo­benzene rings while the dihedral angle between the benzene rings is 73.77 (1)°. In the crystal, mol­ecules are linked through O—H⋯ N and C—H⋯ O hydrogen bonds, giving infinite chains in both the [110] and [1-10] directions. These chains are further connected by C—Br⋯π and C—O⋯π inter­actions and also by π–π stacking between tetra­zole rings [centroid–centroid distance = 3.312 (1) Å], generating a three-dimensional network. International Union of Crystallography 2013-06-12 /pmc/articles/PMC3770362/ /pubmed/24046647 http://dx.doi.org/10.1107/S1600536813014840 Text en © Mafud et al. 2013 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
Mafud, Ana C.
Mascarenhas, Yvonne P.
Nascimento, Alessandro S.
4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid
title 4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid
title_full 4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid
title_fullStr 4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid
title_full_unstemmed 4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid
title_short 4-{5-[(2-Bromo­benz­yl)sulfan­yl]-1H-tetra­zol-1-yl}benzoic acid
title_sort 4-{5-[(2-bromo­benz­yl)sulfan­yl]-1h-tetra­zol-1-yl}benzoic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770362/
https://www.ncbi.nlm.nih.gov/pubmed/24046647
http://dx.doi.org/10.1107/S1600536813014840
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