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[2,7-二乙氧基-8-(4-氟苯甲酰基)萘-1-基](4-氟苯基)甲酮

[2,7-Dieth-oxy-8-(4-fluoro-benzo-yl)naphthalen-1-yl](4-fluoro-phen-yl)methanone.

作者信息

Mouri Saki, Hijikata Daichi, Isozaki Katsuhiro, Yonezawa Noriyuki, Okamoto Akiko

机构信息

Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture & Technology (TUAT), Koganei, Tokyo 184-8588, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 5;69(Pt 5):o637. doi: 10.1107/S1600536813008295. Print 2013 May 1.

DOI:10.1107/S1600536813008295
PMID:23723804
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3647838/
Abstract

In the mol-ecule of the title compound, C28H22F2O4, the benzoyl groups are aligned almost anti-parallel and the fluorobenzene rings form a dihedral angle of 14.12 (7)°. The dihedral angles between the 2,7-dieth-oxy-naphthalene ring system and the benzene rings are 70.00 (4) and 67.28 (4)°. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯F hydrogen bonds, forming layers parallel to the ab plane. The layers are further connected by π-π inter-actions [centroid-centroid distances of 3.6115 (10) Å] into a three-dimensional structure.

摘要

在标题化合物C₂₈H₂₂F₂O₄的分子中,苯甲酰基几乎呈反平行排列,氟苯环形成的二面角为14.12(7)°。2,7 - 二乙氧基萘环系与苯环之间的二面角分别为70.00(4)°和67.28(4)°。在晶体中,分子通过C—H⋯O和C—H⋯F氢键相连,形成平行于ab平面的层。这些层通过π - π相互作用[质心 - 质心距离为3.6115(10)Å]进一步连接成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/893e/3647838/d542af09d564/e-69-0o637-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/893e/3647838/9e6fb597e502/e-69-0o637-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/893e/3647838/8f3cdf211ca8/e-69-0o637-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/893e/3647838/d542af09d564/e-69-0o637-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/893e/3647838/9e6fb597e502/e-69-0o637-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/893e/3647838/8f3cdf211ca8/e-69-0o637-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/893e/3647838/d542af09d564/e-69-0o637-fig3.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o71. doi: 10.1107/S1600536812049963. Epub 2012 Dec 12.
2
(2,7-Dimethoxy-naphthalene-1,8-di-yl)bis-(4-fluoro-benzo-yl)dimethanone.(2,7-二甲氧基萘-1,8-二亚基)双(4-氟苯甲酰基)二甲酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 9;66(Pt 2):o329. doi: 10.1107/S1600536810000486.
3
1,8-Dibenzoyl-2,7-dimethoxy-naphthalene.1,8 - 二苯甲酰基 - 2,7 - 二甲氧基萘
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 4;64(Pt 5):o807. doi: 10.1107/S1600536808007009.
4
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.