4-{5-[(2-Bromobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
In the title compound, C15H11BrN4O2S, 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 hydro...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770362/ |
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pubmed-37703622013-09-17 4-{5-[(2-Bromobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid Mafud, Ana C. Mascarenhas, Yvonne P. Nascimento, Alessandro S. Organic Papers In the title compound, C15H11BrN4O2S, 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Mafud, Ana C. Mascarenhas, Yvonne P. Nascimento, Alessandro S. |
| spellingShingle |
Mafud, Ana C. Mascarenhas, Yvonne P. Nascimento, Alessandro S. 4-{5-[(2-Bromobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid |
| author_facet |
Mafud, Ana C. Mascarenhas, Yvonne P. Nascimento, Alessandro S. |
| author_sort |
Mafud, Ana C. |
| title |
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_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_sort |
4-{5-[(2-bromobenzyl)sulfanyl]-1h-tetrazol-1-yl}benzoic acid |
| description |
In the title compound, C15H11BrN4O2S, 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. |
| publisher |
International Union of Crystallography |
| publishDate |
2013 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770362/ |
| _version_ |
1612010894210891776 |