Abstract
In the title compound, C13H13NO3, the isoxazole ring is approximately coplanar with the phenyl ring, the dihedral angle between their planes being 7.37 (19)°. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H⋯O hydrogen bonds, generating a ring of graph-set motif R 2 2(10).
Highlights
C13H13NO3, the isoxazole ring is approximately coplanar with the phenyl ring, the dihedral angle between their planes being 7.37 (19)
Centrosymmetrically related molecules are linked into dimers by pairs of C—HÁ Á ÁO hydrogen bonds, generating a ring of graph-set motif R22(10)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RZ5055)
Summary
Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 A; R factor = 0.046; wR factor = 0.126; data-to-parameter ratio = 13.9. C13H13NO3, the isoxazole ring is approximately coplanar with the phenyl ring, the dihedral angle between their planes being 7.37 (19). Centrosymmetrically related molecules are linked into dimers by pairs of C—HÁ Á ÁO hydrogen bonds, generating a ring of graph-set motif R22(10). Related literature For the biological activity of isoxazole derivatives, see: Angibaud et al (2003). For the structure of a related compound, see: Yao & Deng (2008). For the synthesis of 3-phenylisoxazole-5-carboxylic acid, see: Liu et al (2006). Monoclinic, P21=n a = 4.6311 (10) Ab = 16.596 (4) Ac = 15.897 (3) A = 98.321 (4) V = 1208.9 (5) A 3
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