2,2′-(4-Amino-4H-1,2,4-triazole-3,5-diyl)diphenol

The structure of the title compound, C14H12N4O2, was determined as part of a project on the coordination chemistry of 1,2,4-triazole derivatives. In the crystal structure, one of the two benzene rings is almost coplanar with the five-membered triazole ring (mean deviation = 0.019 &...

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Bibliographic Details
Main Authors: Sheng-Hui Chen, Gao-Yong Zhang, Jin-Feng Dong
Format: Article
Language:English
Published: International Union of Crystallography 2010-02-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809055536
Description
Summary:The structure of the title compound, C14H12N4O2, was determined as part of a project on the coordination chemistry of 1,2,4-triazole derivatives. In the crystal structure, one of the two benzene rings is almost coplanar with the five-membered triazole ring (mean deviation = 0.019 Å), whereas the second benzene ring is rotated by 51.973 (2)°. The two N—C—N—N torsion angles [170.365 (2) and −170.942 (3)°] indicate that the amido group is slightly twisted away from the triazole plane. An intramolecular O—H...N hydrogen bond occurs. In the crystal structure, intermolecular N—H...O and O—H...N hydrogen bonding is found.
ISSN:1600-5368