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.
Ali OubellaMy Youssef Ait IttoAziz AuhmaniAbdelkhalek RiahiJean Claude DaranAbdelwahed AuhmaniPublished in: Acta crystallographica. Section E, Crystallographic communications (2020)
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.
Keyphrases
- high resolution
- liquid chromatography
- mass spectrometry
- biofilm formation
- solid state
- microbial community
- magnetic resonance
- crystal structure
- high speed
- tandem mass spectrometry
- electron microscopy
- high performance liquid chromatography
- molecular dynamics simulations
- pseudomonas aeruginosa
- magnetic resonance imaging
- staphylococcus aureus
- solid phase extraction
- escherichia coli
- cystic fibrosis