三种1-[4-(4-溴丁氧基)-苯基]查尔酮衍生物的晶体结构：（）-1-[4-(4-溴丁氧基)-苯基]-3-苯基-2-丙烯-1-酮、（）-1-[4-(4-溴丁氧基)-苯基]-3-(4-甲氧基苯基)丙烯-1-酮和（）-1-[4-(4-溴丁氧基)-苯基]-3-(3,4-二甲氧基苯基)丙烯-1-酮。
Crystal structures of three 1-[4-(4-bromo-but-oxy)-phen-yl] chalcone derivatives: ()-1-[4-(4-bromo-but-oxy)-phen-yl]-3-phenyl-prop-2-en-1-one, ()-1-[4-(4-bromo-but-oxy)-phen-yl]-3-(4-meth-oxy-phen-yl)prop-2-en-1-one and ()-1-[4-(4-bromo-but-oxy)-phen-yl]-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.
作者信息
Maragatham Gunasekaran, Selvarani Sivasamy, Rajakumar Perumal, Lakshmi Srinivasakannan
机构信息
Department of Physics, S.D.N.B. Vaishnav College for Women, Chromepet, Chennai 600 044, India.
Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2017 Jul 21;73(Pt 8):1232-1236. doi: 10.1107/S2056989017010052. eCollection 2017 Jul 1.
The crystal structures of three chalcones with a bromo-substituted but-oxy side chain, . ()-1-[4-(4-bromo-but-oxy)-phen-yl]-3-phenyl-prop-2-en-1-one, CHBrO, (I), ()-1-[4-(4-bromo-but-oxy)-phen-yl]-3-(4-meth-oxy-phen-yl)prop-2-en-1-one, CHBrO, (II), and ()-1-[4-(4-bromo-but-oxy)-phen-yl]-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one, CHBrO, (III), are reported. In all mol-ecules, the conformation of the keto group with respect to the olefinic bond is -. Mol-ecules of (I) and (II) are nearly planar, while mol-ecule (III) is not planar. In the crystal of compounds (I) and (II), mol-ecules are linked into chains parallel to the axis by C-H⋯π inter-actions. In the crystal of compound (III), mol-ecules are linked by a pairs of C-H⋯O hydrogen bonds, forming inversion dimers. Weak C-Br⋯π inter-actions are also observed in (III).
报道了三种带有溴代丁氧基侧链的查尔酮的晶体结构，即（±）-1-[4-（4-溴丁氧基）苯基]-3-苯基丙-2-烯-1-酮，C₁₉H₁₉BrO₂，（I）；（±）-1-[4-（4-溴丁氧基）苯基]-3-（4-甲氧基苯基）丙-2-烯-1-酮，C₂₀H₂₁BrO₃，（II）；以及（±）-1-[4-（4-溴丁氧基）苯基]-3-（3,4-二甲氧基苯基）丙-2-烯-1-酮，C₂₁H₂₃BrO₄，（III）。在所有分子中，酮基相对于烯键的构象为反式。（I）和（II）的分子近乎平面，而（III）的分子不是平面的。在化合物（I）和（II）的晶体中，分子通过C-H⋯π相互作用连接成平行于a轴的链。在化合物（III）的晶体中，分子通过一对C-H⋯O氢键连接，形成反演二聚体。在（III）中也观察到弱的C-Br⋯π相互作用。
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