Crystal structure of (R)-5-[(R)-3-(4-chloro-phen-yl)-5-methyl-4,5-di-hydro-isoxazol-5-yl]-2-methyl-cyclo-hex-2-enone.

Abstract

The title compound, C17H18ClNO2, was prepared and isolated as a pure diastereoisomer, using column chromatography followed by a succession of fractional crystallizations. Its exact structure was fully identified via 1H NMR and confirmed by X-ray diffraction. It is built up from a central five-membered di-hydro-isoxazole ring to which a p-chloro-phenyl group and a cyclo-hex-2-enone ring are attached in the 3 and 5 positions. The cyclo-hex-2-one and isoxazoline rings each exhibit an envelope conformation. The crystal packing features C-H⋯O, C-H⋯N and C-H⋯π inter-actions, which generate a three-dimensional network.