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1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1H-1,2,4-triazole

1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1H-1,2,4-triazole
1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1H-1,2,4-triazole
In the molecule of the title compound, C(15)H(13)Cl(2)N(3)O(2), the triazole ring is oriented at dihedral angles of 2.54 (13) and 44.43 (12)degrees, respectively with respect to the furan and dichlorobenzene rings. The dihedral angle between the dichlorobenzene and furan rings is 46.75 (12)degrees. In the crystal structure, intermolecular C-H center dot center dot center dot O hydrogen bonds link the molecules into centrosymmetric dimers and pi-pi contacts between dichlorobenzene rings [centroid-centroid distance = 3.583 (2) angstrom] may further stabilize the structure. Intermolecular C-H center dot center dot center dot pi contacts between the triazole and furan rings also occur.
o107-o108
Özel Güven, Ö.
05f31a79-d1c9-4ec1-8e02-cf1221f90c15
Tahtacı, H.
1611c17f-9188-46be-a38b-64b4d99059fe
Coles, S.J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Hökelek, T.
636afa71-725e-48fc-9e90-d4e77064c314
Özel Güven, Ö.
05f31a79-d1c9-4ec1-8e02-cf1221f90c15
Tahtacı, H.
1611c17f-9188-46be-a38b-64b4d99059fe
Coles, S.J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Hökelek, T.
636afa71-725e-48fc-9e90-d4e77064c314

Özel Güven, Ö., Tahtacı, H., Coles, S.J. and Hökelek, T. (2010) 1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1H-1,2,4-triazole. Acta Crystallographica Section E: Structure Reports Online, 66 (1), o107-o108. (doi:10.1107/S1600536809052568).

Record type: Article

Abstract

In the molecule of the title compound, C(15)H(13)Cl(2)N(3)O(2), the triazole ring is oriented at dihedral angles of 2.54 (13) and 44.43 (12)degrees, respectively with respect to the furan and dichlorobenzene rings. The dihedral angle between the dichlorobenzene and furan rings is 46.75 (12)degrees. In the crystal structure, intermolecular C-H center dot center dot center dot O hydrogen bonds link the molecules into centrosymmetric dimers and pi-pi contacts between dichlorobenzene rings [centroid-centroid distance = 3.583 (2) angstrom] may further stabilize the structure. Intermolecular C-H center dot center dot center dot pi contacts between the triazole and furan rings also occur.

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More information

Published date: January 2010
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow

Identifiers

Local EPrints ID: 346177
URI: http://eprints.soton.ac.uk/id/eprint/346177
PURE UUID: 94271735-ec53-4ef1-ab37-ccacffd8a026
ORCID for S.J. Coles: ORCID iD orcid.org/0000-0001-8414-9272

Catalogue record

Date deposited: 13 Dec 2012 15:09
Last modified: 15 Mar 2024 03:01

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Contributors

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

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