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4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid
In the title compound, C(10)H(9)N(3)O(3), there is a small twist between the benzene and triazole rings [dihedral angle = 6.32 (7)°]; the carboxylic acid residue is almost coplanar with the benzene ring to which it is attached [O—C—C—C torsion angle = 1.49 (19)°]. The main deviation from coplanari...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151797/ https://www.ncbi.nlm.nih.gov/pubmed/21837058 http://dx.doi.org/10.1107/S1600536811022409 |
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author | Ishak, Dayang Hazwani Abang Tajuddin, Hairul Anuar Abdullah, Zanariah Abd Halim, Siti Nadiah Tiekink, Edward R. T. |
author_facet | Ishak, Dayang Hazwani Abang Tajuddin, Hairul Anuar Abdullah, Zanariah Abd Halim, Siti Nadiah Tiekink, Edward R. T. |
author_sort | Ishak, Dayang Hazwani Abang |
collection | PubMed |
description | In the title compound, C(10)H(9)N(3)O(3), there is a small twist between the benzene and triazole rings [dihedral angle = 6.32 (7)°]; the carboxylic acid residue is almost coplanar with the benzene ring to which it is attached [O—C—C—C torsion angle = 1.49 (19)°]. The main deviation from coplanarity of the non-H atoms is found for the hydroxy group which is almost perpendicular to the remaining atoms [N—C—C—O torsion angle = −75.46 (16)°]. In the crystal, the presence of O—H⋯O (between carboxyl groups) and O—H⋯N (between the hydroxy group and the triazole ring) hydrogen bonds leads to supramolecular chains along [03[Image: see text]]. The chains are connected into sheets via C—H⋯O(hydroxy) interactions. |
format | Online Article Text |
id | pubmed-3151797 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31517972011-08-11 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid Ishak, Dayang Hazwani Abang Tajuddin, Hairul Anuar Abdullah, Zanariah Abd Halim, Siti Nadiah Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(9)N(3)O(3), there is a small twist between the benzene and triazole rings [dihedral angle = 6.32 (7)°]; the carboxylic acid residue is almost coplanar with the benzene ring to which it is attached [O—C—C—C torsion angle = 1.49 (19)°]. The main deviation from coplanarity of the non-H atoms is found for the hydroxy group which is almost perpendicular to the remaining atoms [N—C—C—O torsion angle = −75.46 (16)°]. In the crystal, the presence of O—H⋯O (between carboxyl groups) and O—H⋯N (between the hydroxy group and the triazole ring) hydrogen bonds leads to supramolecular chains along [03[Image: see text]]. The chains are connected into sheets via C—H⋯O(hydroxy) interactions. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151797/ /pubmed/21837058 http://dx.doi.org/10.1107/S1600536811022409 Text en © Ishak et al. 2011 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 Ishak, Dayang Hazwani Abang Tajuddin, Hairul Anuar Abdullah, Zanariah Abd Halim, Siti Nadiah Tiekink, Edward R. T. 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid |
title | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid |
title_full | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid |
title_fullStr | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid |
title_full_unstemmed | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid |
title_short | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid |
title_sort | 4-(4-hydroxymethyl-1h-1,2,3-triazol-1-yl)benzoic acid |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151797/ https://www.ncbi.nlm.nih.gov/pubmed/21837058 http://dx.doi.org/10.1107/S1600536811022409 |
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