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1-[2-(2,4-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 14.8?(2) and 81.5?(1)° to the furan and dichloro-benzene rings, respectively. The dihedral angle between the dichloro-benzene and furan rings is 86.3?(2)°. An intra-molecular C-H?O hydrogen bond results in the formation of a planar [maximum deviation 0.012?(2)?Å] five-membered ring, which is oriented at a dihedral angle of 0.90?(7)° with respect to the dichloro-benzene ring. There is an inter-molecular C-H?? contact between the methyl-ene group and the dichloro-benzene ring.

SUBMITTER: Ozel Guven O

PROVIDER: S-EPMC2971368 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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1-[2-(2,4-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 20091028 Pt 11

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 14.8 (2) and 81.5 (1)° to the furan and dichloro-benzene rings, respectively. The dihedral angle between the dichloro-benzene and furan rings is 86.3 (2)°. An intra-molecular C-H⋯O hydrogen bond results in the formation of a planar [maximum deviation 0.012 (2) Å] five-membered ring, which is oriented at a dihedral angle of 0.90 (7)° with respect to the dichloro-benzene ring. There ...[more]

PMID: 21578455

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