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3-苯胺基-N-对甲苯基苯甲酰胺

3-Anilino-N-p-tolyl-benzamide.

作者信息

Yang Xing-Xing, Liu Guan-Feng, Qin Da-Bin

机构信息

School of Chemistry and Chemical Engineering, China West Normal University, Nanchong 637002, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 12;66(Pt 1):o116. doi: 10.1107/S1600536809049939.

DOI:10.1107/S1600536809049939
PMID:21580005
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980203/
Abstract

The title compound, C(20)H(18)N(2)O, which crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, is composed of three aromatic rings (I, II and III). The conformation of the two independent mol-ecules is slightly different. The dihedral angles between the central aromatic ring II and rings I and III are 47.13 (9) and 89.36 (9)°, respectively, for mol-ecule A, and 29.60 (9) and 70.72 (9)°, respectively, for mol-ecule B. Rings I and III are inclined to one another by 86.57 (9)° in mol-ecule A, and 64.59 (10)° in mol-ecule B. The mol-ecular structures are stabilized by intra-molecular N-H⋯O hydrogen bonds. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming chains propagating in the [010] direction. In addition, a number of C-H⋯π inter-actions are observed.

摘要

标题化合物C(20)H(18)N(2)O在不对称单元中由两个独立分子(A和B)结晶而成,它由三个芳环(I、II和III)组成。两个独立分子的构象略有不同。对于分子A,中心芳环II与环I和III之间的二面角分别为47.13 (9)°和89.36 (9)°,对于分子B,分别为29.60 (9)°和70.72 (9)°。在分子A中,环I和III相互倾斜86.57 (9)°,在分子B中为64.59 (10)°。分子结构通过分子内N-H⋯O氢键得以稳定。在晶体结构中,分子通过分子间N-H⋯O氢键相连,形成沿[010]方向延伸的链。此外,还观察到一些C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2269/2980203/d25427642ae7/e-66-0o116-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2269/2980203/d25427642ae7/e-66-0o116-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2269/2980203/d25427642ae7/e-66-0o116-fig1.jpg

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