Crystallography Reports ( IF 0.7 ) Pub Date : 2020-11-25 , DOI: 10.1134/s1063774520070214 N. Q. Shikhaliyev , K. N. Bagirova , A. A. Niyazova , G. Z. Mammadova , J. Cisterna , A. Cárdenas , I. Brito
Abstract
The CuCl-catalyzed olefination with CCl4 in the presence of tetramethylethylenediamine in DMSO leads to the formation of (E)-1-(4-bromo-(2,2-dichloro-1-(4-fluorophenyl)vinyl)-diazene from (E)-1-(4-bromophenyl)-2-(4-fluorobenzylidene)hydrazine. The structure was confirmed by conventional spectroscopy techniques (nuclear magnetic resonance, electrospray ionization mass spectrometry) and determined by X-ray diffraction analysis of single crystals. The title compound crystallized in a monoclinic cell (space group P21/c, Z = 4) with a centrosymmetric arrangement of molecules in the crystal structure, showing interesting non-covalent interactions that were studied by Hirshfeld surface analysis.
中文翻译:
(E)-1-(4-溴苯基)-2-(2,2-二氯-1-(4-氟苯基)乙烯基)二烯的晶体结构和Hirshfeld表面分析
摘要
在四甲基乙二胺在DMSO中存在下,用CCl 4进行CuCl催化的烯烃化反应会导致从中形成(E)-1-(4-溴-(2,2-二氯-1-(4-氟苯基)乙烯基)-二氮烯(E)-1-(4-溴苯基)-2-(4-氟亚苄基)肼的结构通过常规光谱技术(核磁共振,电喷雾电离质谱)确定,并通过单晶的X射线衍射分析确定。标题化合物在单斜晶胞(空间群P 2 1 / c,Z = 4)具有晶体结构中分子的中心对称排列,显示出有趣的非共价相互作用,这是通过Hirshfeld表面分析研究的。