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4-(4-Hy-droxy-methyl-1H-1,2,3-triazol-1-yl)benzoic acid.

ABSTRACT: 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 carb-oxy-lic 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 hy-droxy 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 hy-droxy group and the triazole ring) hydrogen bonds leads to supra-molecular chains along [03[Formula: see text]]. The chains are connected into sheets via C-H?O(hy-droxy) inter-actions.

SUBMITTER: Ishak DH 

PROVIDER: S-EPMC3151797 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

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4-(4-Hy-droxy-methyl-1H-1,2,3-triazol-1-yl)benzoic acid.

Ishak Dayang Hazwani Abang DH   Tajuddin Hairul Anuar HA   Abdullah Zanariah Z   Abd Halim Siti Nadiah SN   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

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 carb-oxy-lic 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 hy-droxy 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 carbox  ...[more]

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