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(Z)-N-(2-氯-亚苄基)苯胺 N-氧化物

(Z)-N-(2-Chloro-benzyl-idene)aniline N-oxide.

作者信息

Fu Ying, Liu Yanhua, Yang Yanshou, Chen Yaojuan

机构信息

Key Laboratory of Polymer Materials of Gansu Province, College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou, An'ning East Road No. 967, Gansu Province 730070, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1320. doi: 10.1107/S1600536811015923. Epub 2011 May 7.

DOI:10.1107/S1600536811015923
PMID:21754718
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120351/
Abstract

In the title compound, C(13)H(10)ClNO, the central C-N bond has considerable double-bond character and the N-O bond indicates a formal negative charge on the O atom. The mol-ecule is stabilized by an intra-molecular C-H⋯O hydrogen bond. The geometry about the C=N bond is Z [C-C-N-O torsion angle = -4.2 (3)°] and the phenyl and benzene rings are trans-oriented around the C=N bond. The phenyl and benzene rings make a dihedral angle of 56.99 (2)°.

摘要

在标题化合物C₁₃H₁₀ClNO中,中心C-N键具有相当大的双键特征,且N-O键表明O原子带有形式负电荷。分子通过分子内C-H⋯O氢键得以稳定。C=N键周围的几何构型为Z型[C-C-N-O扭转角 = -4.2 (3)°],且苯基和苯环围绕C=N键呈反式取向。苯基和苯环形成的二面角为56.99 (2)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d99/3120351/5467b67fd240/e-67-o1320-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d99/3120351/5467b67fd240/e-67-o1320-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d99/3120351/5467b67fd240/e-67-o1320-fig1.jpg

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引用本文的文献

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A short history of SHELX.SHELX简史。
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N-(3-Chlorophenyl)-alpha-phenylnitrone: association with benzoic acid through hydrogen bonding.N-(3-氯苯基)-α-苯基硝酮:通过氢键与苯甲酸缔合。
Acta Crystallogr C. 2000 Dec;56 (Pt 12):1442-3. doi: 10.1107/s0108270100011379.
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N-(4-cyanophenyl)-alpha-(4-methoxyphenyl)nitrone.N-(4-氰基苯基)-α-(4-甲氧基苯基)硝酮
Acta Crystallogr C. 2000 Feb;56 (Pt 2):231-2. doi: 10.1107/s0108270199014596.