{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["66(Pt 2)"],"submitter":["Chen SH"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o330"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979808"],"repository":["biostudies-literature"],"pubmed_title":["2,2'-(4-Amino-4H-1,2,4-triazole-3,5-di-yl)diphenol."],"pmcid":["PMC2979808"],"pubmed_authors":["Zhang GY","Dong JF","Chen SH"],"additional_accession":[]},"is_claimable":false,"name":"2,2'-(4-Amino-4H-1,2,4-triazole-3,5-di-yl)diphenol.","description":"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.","dates":{"release":"2010-01-01T00:00:00Z","publication":"2010 Jan","modification":"2025-04-26T21:39:48.199Z","creation":"2019-03-27T00:00:25Z"},"accession":"S-EPMC2979808","cross_references":{"pubmed":["21579760"],"doi":["10.1107/S1600536809055536"]}}