4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate

TLDR: The title compound, C21H21N5O2·0.5H2O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group, building an infinite three-dimensional network.

Abstract: The title compound, C21H21N5O2·0.5H2O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendicular to the benzene ring and to the quinazoline system, making dihedral angles of 84.38 (10) and 76.55 (8)°, respectively. The stereochemical arrangement of the butanol chain, with a C—C—C—C torsion angle of 178.34 (19)°, corresponds to an anti­periplanar conformation. However the position of the –OH group is split into two very close [O—O = 0.810(3) A] positions of equal occupancy. The crystal structure features O—H⋯N and O—H⋯O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position.