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Crystal structure of ( R )-5-[( R )-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-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 dihydroisoxazole ring to which a p-chlorophenyl group and a cyclohex-2-enone ring are attached in the 3 and 5 positions. The cyclohex-2-one and isoxazoline rings each exhibit an envelope conformation. The crystal packing features C-H...O, C-H...N and C-H...[pi] interactions, which generate a three-dimensional network.
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Contributor : Abdelkhalek Riahi <>
Submitted on : Sunday, June 28, 2020 - 10:30:06 AM
Last modification on : Tuesday, May 4, 2021 - 3:28:18 PM

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Ali Oubella, My Youssef Ait Itto, Aziz Auhmani, Abdelkhalek Riahi, Jean-Claude Daran, et al.. Crystal structure of ( R )-5-[( R )-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone. Acta crystallographica. Section E, Crystallographic communications, International Union of Crystallography, 2020, 76 (3), pp.400-403. ⟨10.1107/S2056989020001991⟩. ⟨hal-02882952⟩



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