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2,2'-(4-Amino-4H-1,2,4-triazole-3,5-di-yl)diphenol.

ABSTRACT: The structure of the title compound, C(14)H(12)N(4)O(2), 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 intra-molecular O-H?N hydrogen bond occurs. In the crystal structure, inter-molecular N-H?O and O-H?N hydrogen bonding is found.

SUBMITTER: Chen SH

PROVIDER: S-EPMC2979808 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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2,2'-(4-Amino-4H-1,2,4-triazole-3,5-di-yl)diphenol.

Chen Sheng-Hui SH Zhang Gao-Yong GY Dong Jin-Feng JF

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

The structure of the title compound, C(14)H(12)N(4)O(2), 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 in ...[more]

PMID: 21579760

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