Abstract
In the title compound, C14H13N3O, the benzotriazole ring is oriented at a dihedral angle of 13.43 (4)° with respect to the phenyl ring. In the crystal structure, intermolecular O—H⋯N hydrogen bonds link the molecules into chains along the b axis. Aromatic π–π contacts between benzene rings and between triazole and benzene rings [centroid–centroid distances = 3.8133 (8) and 3.7810 (8) Å, respectively], as well as a weak C—H⋯π interaction involving the phenyl ring, are also observed.
Highlights
C14H13N3O, the benzotriazole ring is oriented at a dihedral angle of 13.43 (4) with respect to the phenyl ring
We report the crystal structure of the title benzotriazole derivative, (I)
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
R factor = 0.045; wR factor = 0.105; data-to-parameter ratio = 12.9. C14H13N3O, the benzotriazole ring is oriented at a dihedral angle of 13.43 (4) with respect to the phenyl ring. Intermolecular O—H N hydrogen bonds link the molecules into chains along the b axis. Aromatic – contacts between benzene rings and between triazole and benzene rings [centroid–centroid distances = 3.8133 (8) and 3.7810 (8) Å, respectively], as well as a weak C—H interaction involving the phenyl ring, are observed. For general background to the biological activity of benzotriazole derivatives, see: Hirokawa et al (1998); Yu et al. See: Caira et al (2004); Katritzky et al (2001); Özel Güven et al.
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