4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid

Ishak, D.H.A. and Tajuddin, Hairul Anuar and Abdullah, Z. and Abd Halim, S.N. and Tiekink, E.R.T. (2011) 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid. Acta Crystallographica Section E: Structure Reports Online, 67 (Pt 7). O1658-U431. ISSN 1600-5368, DOI https://doi.org/10.1107/s1600536811022409.

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In the title compound, C10H9N3O3, there is a small twist between the benzene and triazole rings dihedral angle = 6.32 (7)degrees; 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)degrees. 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)degrees. In the crystal, the presence of O-H center dot center dot center dot O (between carboxyl groups) and O-H center dot center dot center dot N (between the hydroxy group and the triazole ring) hydrogen bonds leads to supramolecular chains along 03 (1) over bar. The chains are connected into sheets via C-H center dot center dot center dot O(hydroxy) interactions.

Item Type: Article
Uncontrolled Keywords: Small twist, benzene rings, triazole rings, 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science > Department of Chemistry
Depositing User: miss munirah saadom
Date Deposited: 03 Jul 2013 03:46
Last Modified: 31 Jan 2019 04:18
URI: http://eprints.um.edu.my/id/eprint/6582

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