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1-[2-(4-Chloro-benz-yloxy)-2-phenyl-ethyl]-1H-benzotriazole.

ABSTRACT: The asymmetric unit of the title compound, C(21)H(18)ClN(3)O, contains two crystallographically independent mol-ecules which differ slightly in the orientations of chloro-benz-yloxy units. In one of the mol-ecules, the phenyl and chloro-phenyl rings are oriented at dihedral angles of 38.09?(6) and 42.15?(6)°, respectively, with respect to the benzotriazole ring [43.23?(6) and 29.80?(6)° in the other mol-ecule]. The dihedral angle between the phenyl and chloro-phenyl rings is 77.63?(6)° in one of the mol-ecules and 72.97?(6)° in the other. The crystal structure is stabilized by weak C-H?? inter-actions.

SUBMITTER: Ozel Guven O

PROVIDER: S-EPMC2979387 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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1-[2-(4-Chloro-benz-yloxy)-2-phenyl-ethyl]-1H-benzotriazole.

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

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

The asymmetric unit of the title compound, C(21)H(18)ClN(3)O, contains two crystallographically independent mol-ecules which differ slightly in the orientations of chloro-benz-yloxy units. In one of the mol-ecules, the phenyl and chloro-phenyl rings are oriented at dihedral angles of 38.09 (6) and 42.15 (6)°, respectively, with respect to the benzotriazole ring [43.23 (6) and 29.80 (6)° in the other mol-ecule]. The dihedral angle between the phenyl and chloro-phenyl rings is 77.63 (6)° in one of ...[more]

PMID: 21579353

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