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5-Methyl-3-phenyl-isoxazole-4-carb-oxy-lic acid.

ABSTRACT: In the title compound, C11H9NO3, the phenyl and isoxazole rings form a dihedral angle of 56.64?(8)°. The carb-oxy group is almost in the same plane as the isoxazole ring with a C-C-C-O torsion angle of -3.3?(2)°. In the crystal, pairs of O-H?O hydrogen bonds link the mol-ecules into head-to-head dimers. C-H?N hydrogen bonds and ?-? stacking inter-actions between phenyl rings [centroid-centroid distance = 3.9614?(17)Å] link the dimers into a three-dimensional network.

SUBMITTER: Chandra

PROVIDER: S-EPMC3685054 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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5-Methyl-3-phenyl-isoxazole-4-carb-oxy-lic acid.

Chandra Srikantamurthy N N Vishalakshi G J GJ Jeyaseelan S S Umesha K B KB Mahendra M M

Acta crystallographica. Section E, Structure reports online 20130515 Pt 6

In the title compound, C11H9NO3, the phenyl and isoxazole rings form a dihedral angle of 56.64 (8)°. The carb-oxy group is almost in the same plane as the isoxazole ring with a C-C-C-O torsion angle of -3.3 (2)°. In the crystal, pairs of O-H⋯O hydrogen bonds link the mol-ecules into head-to-head dimers. C-H⋯N hydrogen bonds and π-π stacking inter-actions between phenyl rings [centroid-centroid distance = 3.9614 (17)Å] link the dimers into a three-dimensional network. ...[more]

PMID: 23795073

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