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4-氯-N-(2-甲氧基苯基)苯甲酰胺

4-Chloro-N-(2-methoxy-phen-yl)benzamide.

作者信息

Saeed Aamer, Khera Rasheed Ahmad, Simpson Jim

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 19;66(Pt 1):o214. doi: 10.1107/S160053680905394X.

DOI:10.1107/S160053680905394X
PMID:21580098
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980066/
Abstract

The title compound, C(14)H(12)ClNO(2), was prepared by refluxing 4-chloro-benzoyl chloride with o-anisidine in CHCl(3). The methoxy-phen-yl-amide segment of the mol-ecule is almost planar, with a dihedral angle of 5.10 (7)° between the benzene ring and the C-N-C(O)-C fragment. A weak intra-molecular N-H⋯O contact forms an S(5) ring and contributes to the planarity of this portion of the mol-ecule. The two benzene rings are inclined at an angle of 26.74 (7)°. In the crystal structure, inter-molecular Cl⋯O inter-actions of 3.1874 (9) Å generate centrosymmetric dimers. These are further linked by C-H⋯O and C-H⋯π inter-actions, forming inversion related sheets parallel to [001].

摘要

标题化合物C(14)H(12)ClNO(2)是通过使4-氯苯甲酰氯与邻茴香胺在CHCl(3)中回流制备的。分子中的甲氧基苯基酰胺片段几乎是平面的，苯环与C-N-C(O)-C片段之间的二面角为5.10 (7)°。一个弱的分子内N-H⋯O接触形成一个S(5)环，并有助于该分子这一部分的平面性。两个苯环以26.74 (7)°的角度倾斜。在晶体结构中，3.1874 (9) Å的分子间Cl⋯O相互作用产生中心对称二聚体。这些二聚体通过C-H⋯O和C-H⋯π相互作用进一步连接，形成与[001]平行的反演相关片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d8b/2980066/edbd22cb1088/e-66-0o214-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d8b/2980066/b900344f288a/e-66-0o214-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d8b/2980066/9156fb82ff04/e-66-0o214-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d8b/2980066/edbd22cb1088/e-66-0o214-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d8b/2980066/b900344f288a/e-66-0o214-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d8b/2980066/9156fb82ff04/e-66-0o214-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d8b/2980066/edbd22cb1088/e-66-0o214-fig3.jpg

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