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1-[2-(4-Bromo-benz-yloxy)-2-phenyl-ethyl]-1H-1,2,4-triazole.

ABSTRACT: In the mol-ecule of the title compound, C(17)H(16)BrN(3)O, the triazole ring is oriented at dihedral angles of 6.14?(9)° and 82.08?(9)°, respectively, with respect to the phenyl and bromo-benzene rings. The dihedral angle between the bromo-benzene and phenyl rings is 87.28?(7)°. The intra-molecular C-H?O hydrogen bond results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 0.13?(6)° with respect to the bromo-benzene ring. There is an inter-molecular C-H?? contact between a methyl-ene group and the bromo-benzene ring.

SUBMITTER: Ozel Guven O

PROVIDER: S-EPMC2959426 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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1-[2-(4-Bromo-benz-yloxy)-2-phenyl-ethyl]-1H-1,2,4-triazole.

Ozel Güven Ozden O Tahtacı Hakan H Coles Simon J SJ Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20080913 Pt 10

In the mol-ecule of the title compound, C(17)H(16)BrN(3)O, the triazole ring is oriented at dihedral angles of 6.14 (9)° and 82.08 (9)°, respectively, with respect to the phenyl and bromo-benzene rings. The dihedral angle between the bromo-benzene and phenyl rings is 87.28 (7)°. The intra-molecular C-H⋯O hydrogen bond results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 0.13 (6)° with respect to the bromo-benzene ring. There is an inter-molecular C-H⋯ ...[more]

PMID: 21201123

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