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2-(1H-Benzotriazol-1-yl)-1-phenyl-ethanol.

ABSTRACT: In the title compound, C(14)H(13)N(3)O, the benzotriazole ring is oriented at a dihedral angle of 13.43?(4)° with respect to the phenyl ring. In the crystal structure, inter-molecular O-H?N hydrogen bonds link the mol-ecules 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?? inter-action involving the phenyl ring, are also observed.

SUBMITTER: Ozel Guven O

PROVIDER: S-EPMC2983856 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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2-(1H-Benzotriazol-1-yl)-1-phenyl-ethanol.

Ozel Güven Ozden O Bayraktar Meral M Coles Simon J SJ Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20100327 Pt 4

In the title compound, C(14)H(13)N(3)O, the benzotriazole ring is oriented at a dihedral angle of 13.43 (4)° with respect to the phenyl ring. In the crystal structure, inter-molecular O-H⋯N hydrogen bonds link the mol-ecules 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 inter-action involving the phenyl ring, are also observed. ...[more]

PMID: 21580762

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