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N-（3-溴-1,4-二氧代-1,4-二氢-2-萘基）-4-氟-N-（4-氟苯甲酰基）苯甲酰胺

N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphth-yl)-4-fluoro-N-(4-fluoro-benzo-yl)benzamide.

作者信息

Akinboye Emmanuel S, Butcher Ray J, Wright Dwayne A, Brandy Yakini, Bakare Oladapo

机构信息

Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o277. doi: 10.1107/S1600536809000117.

DOI:10.1107/S1600536809000117
PMID:21581890
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968378/
Abstract

In the title compound, C(24)H(12)BrF(2)NO(4), synthesized from 2-amino-3-bromo-1,4-naphthoquinone and 4-fluoro-benzoyl chloride, the two p-fluoro-phenyl rings are inclined at 73.9 (1) and 73.6 (1)° to the naphthoquinone ring system. The two imido carbonyl O atoms are anti to each other, while the fluoro-phenyl rings are located opposite each other, connected to the imide group in a funnel-like arrangement. This conformation allows the fluorine groups be oriented slightly away from each other. An examination of the packing shows a close inter-molecular F⋯O contact of 2.982 (5) Å and a Br⋯O contact of 2.977 (4) Å. In addition, the mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯F inter-actions.

摘要

在由2-氨基-3-溴-1,4-萘醌与4-氟苯甲酰氯合成的标题化合物C₂₄H₁₂BrF₂NO₄中，两个对氟苯基环与萘醌环系的倾斜角度分别为73.9 (1)°和73.6 (1)°。两个酰亚胺羰基O原子彼此呈反式，而氟苯基环彼此相对，以漏斗状排列连接到酰亚胺基团上。这种构象使得氟基团彼此略微远离。对堆积情况的研究表明存在2.982 (5) Å的紧密分子间F⋯O接触以及2.977 (4) Å的Br⋯O接触。此外，分子通过弱分子间C-H⋯O和C-H⋯F相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11a7/2968378/ff23cd980fe7/e-65-0o277-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11a7/2968378/f3867324da66/e-65-0o277-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11a7/2968378/ff23cd980fe7/e-65-0o277-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11a7/2968378/f3867324da66/e-65-0o277-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11a7/2968378/ff23cd980fe7/e-65-0o277-fig2.jpg

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