（）-5-[（）-3-（4-氯苯基）-5-甲基-4,5-二氢异恶唑-5-基]-2-甲基环己-2-烯酮的晶体结构
Crystal structure of ()-5-[()-3-(4-chloro-phen-yl)-5-methyl-4,5-di-hydro-isoxazol-5-yl]-2-methyl-cyclo-hex-2-enone.
作者信息
Oubella Ali, Ait Itto My Youssef, Auhmani Aziz, Riahi Abdelkhalek, Daran Jean-Claude, Auhmani Abdelwahed
机构信息
Laboratoire de Synthése Organique et de Physico-Chimie Moléculaire, Département de Chimie, Faculté des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco.
Institut de Chimie Moléculaire de Reims, CNRS UMR 7312, Bat. Europol Agr, Moulin de la Housse, UFR Sciences, BP 1039, 51687 Reims Cédex 2, France.
出版信息
Acta Crystallogr E Crystallogr Commun. 2020 Feb 18;76(Pt 3):400-403. doi: 10.1107/S2056989020001991. eCollection 2020 Mar 1.
The title compound, CHClNO, was prepared and isolated as a pure diastereoisomer, using column chromatography followed by a succession of fractional crystallizations. Its exact structure was fully identified H NMR and confirmed by X-ray diffraction. It is built up from a central five-membered di-hydro-isoxazole ring to which a -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.
标题化合物CHClNO通过柱色谱法，随后进行一系列分步结晶，制备并分离为纯的非对映异构体。其确切结构通过¹H NMR完全确定，并经X射线衍射证实。它由一个中心五元二氢异恶唑环构成，在3位和5位连接有一个对氯苯基和一个环己-2-烯酮环。环己-2-酮环和异恶唑啉环均呈现信封式构象。晶体堆积具有C-H⋯O、C-H⋯N和C-H⋯π相互作用，形成三维网络。
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