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（2）-1-（4-乙氧基苯基）-3-（4-氟苯基）丙-2-烯-1-酮的晶体结构

Crystal structure of (2)-1-(4-eth-oxy-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

作者信息

Bernhard Merle, Lutter Jacob C, Predecki Allison

机构信息

Department of Chemistry and Biochemistry, Shippensburg University, Shippensburg, PA 17257, USA.

Department of Chemistry and Biochemistry, University of Southern Indiana, Evansville, IN 47712, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Jul 22;78(Pt 8):821-824. doi: 10.1107/S2056989022007423. eCollection 2022 Aug 1.

DOI:10.1107/S2056989022007423
PMID:35974830
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9361380/
Abstract

The title mol-ecule, CHFO, was synthesized by a Claisen-Schmidt condensation with 4-fluoro-benzaldehyde and 4'-eth-oxy-aceto-phenone. The torsion angles between the 4-fluoro-phenyl ring and the alkene and the 4'-eth-oxy-phenyl ring and the 2-propen-1-one are -1.2 (4) and 1.2 (3)°, respectively; however, there is a larger torsion between the bonds comprising the 2-propen-1-one unit of 12.0 (4)°. The crystal packing is stabilized by inter-molecular C-H⋯O/F hydrogen bonding, π-π stacking, and H-π inter-actions.

摘要

标题分子CHFO是通过4-氟苯甲醛与4'-乙氧基苯乙酮的克莱森-施密特缩合反应合成的。4-氟苯环与烯烃之间以及4'-乙氧基苯环与2-丙烯-1-酮之间的扭转角分别为-1.2（4）°和1.2（3）°；然而，构成2-丙烯-1-酮单元的键之间存在较大的扭转角，为12.0（4）°。晶体堆积通过分子间C-H⋯O/F氢键、π-π堆积和H-π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/69b0e257cd33/e-78-00821-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/3c26198e5f36/e-78-00821-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/44120a084603/e-78-00821-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/c9891cc7c528/e-78-00821-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/69b0e257cd33/e-78-00821-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/3c26198e5f36/e-78-00821-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/44120a084603/e-78-00821-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/c9891cc7c528/e-78-00821-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/684c/9361380/69b0e257cd33/e-78-00821-fig4.jpg

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