Sales Eric S, Bortoluzzi Adailton J, Merlo Aloir A
Instituto de Química, Universidade Federal do Rio Grande do Sul - UFRGS, Av. Bento Gonçalves, 9500, 91501 - 970 - Porto Alegre - RS, Brazil.
Depto. de Química - Campus Trindade, Universidade Federal de Santa Catarina - UFSC, 88040-900 - Florianópolis, Santa Catarina, Brazil.
Acta Crystallogr E Crystallogr Commun. 2019 May 24;75(Pt 6):896-899. doi: 10.1107/S2056989019007412. eCollection 2019 Jun 1.
The mol-ecule of the title compound, CHNO, was prepared by [3 + 2] 1,3-dipolar cyclo-addition of 4--octyl-phenyl-nitrile oxide and 4--but-oxy-styrene, the latter compound being a very useful inter-mediate to the synthesis of liquid-crystalline materials. In the mol-ecule, the benzene rings of the -octyloxyphenyl and -but-oxy-phenyl groups form dihedral angles of 2.83 (7) and 85.49 (3)°, respectively, with the mean plane of the isoxazoline ring. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen inter-actions into chains running parallel to the axis.
标题化合物CHNO的分子是通过4-辛基苯甲醛肟和4-丁氧基苯乙烯的[3 + 2] 1,3-偶极环加成反应制备的，后一种化合物是合成液晶材料非常有用的中间体。在分子中，辛氧基苯基和丁氧基苯基的苯环与异恶唑啉环的平均平面分别形成2.83（7）°和85.49（3）°的二面角。在晶体中，分子通过弱C-H⋯O氢键相互作用连接成平行于轴的链。
