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1-[2-(4-Bromobenzyloxy)-2-phenylethyl]-1H-1,2,4-triazole

1-[2-(4-Bromobenzyloxy)-2-phenylethyl]-1H-1,2,4-triazole
1-[2-(4-Bromobenzyloxy)-2-phenylethyl]-1H-1,2,4-triazole
In the molecule of the title compound, C(17)H(16)BrN(3)O, the triazole ring is oriented at dihedral angles of 6.14 (9)degrees and 82.08 (9)degrees, respectively, with respect to the phenyl and bromobenzene rings. The dihedral angle between the bromobenzene and phenyl rings is 87.28 (7)degrees. The intramolecular C-H center dot center dot center dot O hydrogen bond results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 0.13 (6)degrees with respect to the bromobenzene ring. There is an intermolecular C-H center dot center dot center dot pi contact between a methylene group and the bromobenzene ring.
o1914-o1915
Özel Güven, Ö.
05f31a79-d1c9-4ec1-8e02-cf1221f90c15
Tahtaci, H.
93a9e2c4-6dd9-410b-8cac-925a1276f267
Coles, S.J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Hökelek, T.
636afa71-725e-48fc-9e90-d4e77064c314
Özel Güven, Ö.
05f31a79-d1c9-4ec1-8e02-cf1221f90c15
Tahtaci, H.
93a9e2c4-6dd9-410b-8cac-925a1276f267
Coles, S.J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Hökelek, T.
636afa71-725e-48fc-9e90-d4e77064c314

Özel Güven, Ö., Tahtaci, H., Coles, S.J. and Hökelek, T. (2008) 1-[2-(4-Bromobenzyloxy)-2-phenylethyl]-1H-1,2,4-triazole. Acta Crystallographica Section E: Structure Reports Online, 64 (10), o1914-o1915. (doi:10.1107/S1600536808027748).

Record type: Article

Abstract

In the molecule of the title compound, C(17)H(16)BrN(3)O, the triazole ring is oriented at dihedral angles of 6.14 (9)degrees and 82.08 (9)degrees, respectively, with respect to the phenyl and bromobenzene rings. The dihedral angle between the bromobenzene and phenyl rings is 87.28 (7)degrees. The intramolecular C-H center dot center dot center dot O hydrogen bond results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 0.13 (6)degrees with respect to the bromobenzene ring. There is an intermolecular C-H center dot center dot center dot pi contact between a methylene group and the bromobenzene ring.

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More information

Published date: October 2008
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow, Chemistry

Identifiers

Local EPrints ID: 346421
URI: http://eprints.soton.ac.uk/id/eprint/346421
PURE UUID: 79ec9e7a-ee86-4686-a075-b2cdaef0d276
ORCID for S.J. Coles: ORCID iD orcid.org/0000-0001-8414-9272

Catalogue record

Date deposited: 20 Dec 2012 16:37
Last modified: 18 Feb 2021 16:53

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Contributors

Author: Ö. Özel Güven
Author: H. Tahtaci
Author: S.J. Coles ORCID iD
Author: T. Hökelek

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