Abstract
The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the methoxyphenyl group as the flap. The dihedral angle between the mean plane of the pyran ring and the adjacent benzene ring is 5.86 (5)°. In the crystal, molecules are linked by a weak C—H⋯O hydrogen bond, forming a chain along the a axis.
Highlights
The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate
The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the methoxyphenyl group as the flap
Molecules are linked by a weak C—HÁ Á ÁO hydrogen bond, forming a chain along the a axis
Summary
Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.002 A; R factor = 0.040; wR factor = 0.112; data-to-parameter ratio = 15.1. The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the methoxyphenyl group as the flap. The dihedral angle between the mean plane of the pyran ring and the adjacent benzene ring is 5.86 (5). Related literature For the biological activity of isoxazole and benzpyran derivatives, see: Winn et al (1976); Rozman et al (2002); Caine (1993). See: Paramasivam et al (2012)
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