Article

2-(1H-Benzotriazol-1-yl)-3-(2,6-dichloro­phen­yl)-1-phenyl­propan-1-ol

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 09/2011; 67(Pt 9):o2510. DOI: 10.1107/S1600536811034738
Source: PubMed

ABSTRACT

The asymmetric unit of the title compound, C(21)H(17)Cl(2)N(3)O, contains two crystallographically independent mol-ecules with similar conformations. The benzotriazole ring is oriented at dihedral angles of 30.61 (5) and 43.36 (5)°, respectively, to the phenyl and dichloro-phenyl rings in one mol-ecule, and 32.25 (5) and 41.04 (5)° in the other. The dihedral angles between the phenyl and dichloro-phenyl rings are 66.38 (7) and 66.14 (6)° in the two mol-ecules. An intra-molecular O-H⋯N hydrogen bond links the benzotriazole ring and phenyl-propanol unit in each mol-ecule. In the crystal, weak inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into chains along the a axis. π-π stacking between the dichloro-phenyl rings [centroid-centroid distances = 3.809 (1) and 3.735 (1) Å] may further stabilize the crystal structure.

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Available from: Simon J Coles
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    ABSTRACT: In the title molecule, C21H17Cl2N3O, the benzotriazole ring is oriented at dihedral angles of 48.72 (6) and 62.94 (5)degrees, respectively, to the phenyl and benzene rings and the dihedral angle between the phenyl and benzene rings is 88.95 (6)degrees. In the crystal, weak C-H center dot center dot center dot N hydrogen bonds link the molecules into chains. pi-pi contacts between the triazole and benzene rings [centroid-centroid distance = 3.678 (1) angstrom] and a weak C-H center dot center dot center dot pi interaction are also observed.
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