Crystal Structure 4-(2,4-Dihydroxybenzylideneamino)-5-methyl-2H-1,2,4-triazol-3(4H)-one

Abstract

The title compound (I), 4-(2,4-dihydroxybenzlideneamino)-5-methyl-2H-1,2,4- triazol-3(4H)-one was characterized by single crystal X-ray diffraction. This crystal is monoclinic, space group P2<inf>1</inf>/c with a = 10.1447(7) Å, b = 7.0972(3) Å, c = 14.6726(10) Å, β = 98107(5)°, V = 1045.85(11) Å3, Z = 4, D <inf>c</inf> = 1.487 g/cm3, F <inf>00</inf> = 488, R = 0.039 and wR = 0.1025, S = 1.003, T = 293 (2) K. The title molecule is planar: the angle between the triazole ring and benzene ring is 179.1(1)°. The crystal structure contains two intramolecular (O-H⋯N and C-H⋯O) and three intermolecular interaction (O-H⋯N, N-H⋯O, and C-H⋯O). In addition, there is also π-π interactions.. © 2011 Springer Science+Business Media, LLC.