[1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol hemihydrate

Abstract

The asymmetric unit of the title hydrate, C9H 8ClN3O·0.5H2O, comprises two independent 1,2,3-triazole molecules and a water molecule of crystallization. The dihedral angles between the six- and five-membered rings in the 1,2,3-triazole molecules are 12.71 (19) and 17.3 (2)°. The most significant different between them is found in the relative orientations of the terminal CH2OH groups with one being close to perpendicular to the five-membered ring [N - C - C - O torsion angle = 82.2 (5)°], while in the other molecule, a notable deviation from a perpendicular disposition is found [torsion angle = -60.3 (5)°]. Supra-molecular chains feature in the crystal packing sustained by O - H⋯(O,N) interactions along the a-axis direction. The chains are connected via C - H⋯N interactions and the resultant layers stack along the b axis. © Boechat et al. 2011.