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1-[2-(2,6-Dichloro-benz-yloxy)-2-(2-fur-yl)eth-yl]-1H-1,2,4-triazole.

ABSTRACT: In the mol-ecule 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)°, respectively with respect to the furan and dichloro-benzene rings. The dihedral angle between the dichloro-benzene and furan rings is 46.75?(12)°. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers and ?-? contacts between dichloro-benzene rings [centroid-centroid distance = 3.583?(2)?Å] may further stabilize the structure. Inter-molecular C-H?? contacts between the triazole and furan rings also occur.

SUBMITTER: Ozel Guven O

PROVIDER: S-EPMC2980028 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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1-[2-(2,6-Dichloro-benz-yloxy)-2-(2-fur-yl)eth-yl]-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 20091212 Pt 1

In the mol-ecule 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)°, respectively with respect to the furan and dichloro-benzene rings. The dihedral angle between the dichloro-benzene and furan rings is 46.75 (12)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers and π-π contacts between dichloro-benzene rings [centroid-centroid distance = 3.583 (2) Å] may fur ...[more]

PMID: 21579997

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1-[2-(2,4-Dichloro-benz-yloxy)-2-(2-fur-yl)eth-yl]-1H-1,2,4-triazole.

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