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2-(1H-Benzotriazol-1-yl)-3-(2,6-dichloro-phen-yl)-1-phenyl-propan-1-ol.

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. ?-? stacking between the dichloro-phenyl rings [centroid-centroid distances = 3.809?(1) and 3.735?(1)?Å] may further stabilize the crystal structure.

SUBMITTER: Ozel Guven O 

PROVIDER: S-EPMC3200780 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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2-(1H-Benzotriazol-1-yl)-3-(2,6-dichloro-phen-yl)-1-phenyl-propan-1-ol.

Ozel Güven Ozden O   Capanlar Seval S   Coles Simon J SJ   Hökelek Tuncer T  

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

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 b  ...[more]

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