CHIN-HUNG LAI2026-10-162026-10-162019-12-01Pure ID: 14944335Pure UUID: b86fb650-be22-4686-bb99-211e250b318310.1107/S2056989019015743https://www.scopus.com/pages/publications/85076341828https://scholars.csmu.edu.tw/handle/123456789/22209In the title molecule, C13H16N4O3, the mean planes of the phenyl and triazole rings are nearly perpendicular to one another as a result of the intramolecular C - H⋯O and C - H⋯π(ring) interactions. In the crystal, layers parallel to (101) are generated by O - H⋯N, N - H⋯O and N - H⋯N hydrogen bonds. The layers are connected by inversion-related pairs of C - H⋯O hydrogen bonds. The experimental molecular structure is close to the gas-phase geometry-optimized structure calculated by DFT methods. Hirshfeld surface analysis indicates that the most important interaction involving hydrogen in the title compound is the H⋯H contact. The contribution of the H⋯O, H⋯N, and H⋯H contacts are 13.6, 16.1, and 54.6%, respectively.6enjournal article