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N-环己基-2-氟苯甲酰胺

N-Cyclo-hexyl-2-fluoro-benzamide.

作者信息

Saeed Aamer, Khera Rasheed Ahmad, Abbas Naeem, Simpson Jim, Stanley Roderick G

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 25;64(Pt 11):o2187. doi: 10.1107/S1600536808034090.

DOI:10.1107/S1600536808034090
PMID:21581045
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959755/
Abstract

In the title compound, C(13)H(16)FNO, the fluoro-benzene ring plane and the plane through the amide unit are inclined at a dihedral angle of 29.92 (7)°. The cyclo-hexane ring adopts a chair conformation. In the crystal structure, N-H⋯O hydrogen bonds, augmented by weak C-H⋯O inter-actions, link the mol-ecules into transverse chains along a. These chains are linked into zigzag columns down a by C-H⋯F hydrogen bonds and C-H⋯π inter-actions.

摘要

在标题化合物C(13)H(16)FNO中,氟苯环平面与通过酰胺单元的平面呈29.92 (7)°的二面角倾斜。环己烷环呈椅式构象。在晶体结构中,N-H⋯O氢键,加上弱的C-H⋯O相互作用,将分子沿a轴连接成横向链。这些链通过C-H⋯F氢键和C-H⋯π相互作用沿a轴向下连接成锯齿状柱。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db70/2959755/281e81dc24b7/e-64-o2187-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db70/2959755/a16a5b3e49f5/e-64-o2187-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db70/2959755/af1f749317c5/e-64-o2187-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db70/2959755/281e81dc24b7/e-64-o2187-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db70/2959755/a16a5b3e49f5/e-64-o2187-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db70/2959755/af1f749317c5/e-64-o2187-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db70/2959755/281e81dc24b7/e-64-o2187-fig3.jpg

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本文引用的文献

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4-Chloro-N-(3-methoxy-phen-yl)-benz-amide.4-氯-N-(3-甲氧基苯基)苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 20;64(Pt 10):o1976. doi: 10.1107/S1600536808029899.
2
Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-N'-(4-pyridyl)benzamides.构建异构体网格:同晶型的4-、3-和2-氟-N'-(4-吡啶基)苯甲酰胺。
Acta Crystallogr C. 2008 Jun;64(Pt 6):o335-40. doi: 10.1107/S0108270108012067. Epub 2008 May 21.
3
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.
4
The Cambridge Structural Database: a quarter of a million crystal structures and rising.剑桥结构数据库:拥有二十五万个晶体结构且数量不断增加。
Acta Crystallogr B. 2002 Jun;58(Pt 3 Pt 1):380-8. doi: 10.1107/s0108768102003890. Epub 2002 May 29.