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Abstract
The title compound, C25H22N2O3, with three stereogenic centres, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a sofa conformation and the five-membered isoxazole ring exhibits an envelope conformation. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 10.54 (9)°. In the crystal, no significant intermolecular interactions are observed.
Highlights
The title compound, C25H22N2O3, with three stereogenic centres, crystallizes in a centrosymmetric space group as a racemate
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2408)
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.003 A; R factor = 0.051; wR factor = 0.164; data-to-parameter ratio = 18.9. The title compound, C25H22N2O3, with three stereogenic centres, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a sofa conformation and the five-membered isoxazole ring exhibits an envelope conformation. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 10.54 (9). Related literature For the biological activity of the title compound, see: Rozman et al (2002); Winn et al (1976). See: Kanchanadevi et al (2011); Swaminathan et al (2012)
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