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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?? inter-actions, which generate a three-dimensional network.

SUBMITTER: Oubella A 

PROVIDER: S-EPMC7057358 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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

Oubella Ali A   Ait Itto My Youssef MY   Auhmani Aziz A   Riahi Abdelkhalek A   Daran Jean-Claude JC   Auhmani Abdelwahed A  

Acta crystallographica. Section E, Crystallographic communications 20200218 Pt 3

The title compound, C<sub>17</sub>H<sub>18</sub>ClNO<sub>2</sub>, was prepared and isolated as a pure diastereoisomer, using column chromatography followed by a succession of fractional crystallizations. Its exact structure was fully identified <i>via</i> <sup>1</sup>H NMR and confirmed by X-ray diffraction. It is built up from a central five-membered di-hydro-isoxazole ring to which a <i>p</i>-chloro-phenyl group and a cyclo-hex-2-enone ring are attached in the 3 and 5 positions. The cyclo-hex-  ...[more]

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