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3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide.

ABSTRACT: In the title compound, C(15)H(13)NO(2), the isoxazole unit and the attached benzene ring are almost coplanar, making a dihedral angle of 1.42?(8)°. The benzyl ring is inclined to the isoxazole ring by 74.19?(8)° and is in a +sc conformation with respect to the benzisoxazole unit. In the crystal, C-H?O hydrogen bonds link the mol-ecules, forming zigzag chains propagating along the b axis. There are also ?-? inter-actions present involving the isoxazole and benzyl rings [centroid-centroid distance = 3.5209?(10)?Å], and C-H?? inter-actions involving the benzene ring of the benzoisoxazole unit and the methyl-ene bridging group.

SUBMITTER: Anuradha G

PROVIDER: S-EPMC3470327 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide.

Anuradha G G Gopalsamy Vasuki V Veera Reddy A A Laxminarasimhulu G G

Acta crystallographica. Section E, Structure reports online 20120919 Pt 10

In the title compound, C(15)H(13)NO(2), the isoxazole unit and the attached benzene ring are almost coplanar, making a dihedral angle of 1.42 (8)°. The benzyl ring is inclined to the isoxazole ring by 74.19 (8)° and is in a +sc conformation with respect to the benzisoxazole unit. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules, forming zigzag chains propagating along the b axis. There are also π-π inter-actions present involving the isoxazole and benzyl rings [centroid-centroid distance ...[more]

PMID: 23125740

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