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环己酮 2-硝基苯腙

Cyclo-hexa-none 2-nitro-phenyl-hydrazone.

作者信息

Yang Bao-He, Niu Jun-Long

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 May 8;66(Pt 6):o1300. doi: 10.1107/S1600536810016156.

Abstract

In the title Schiff base compound, C(12)H(15)N(3)O(2), obtained from a condensation reaction of cyclo-hexa-none and 2-nitro-phenyl-hydrazine, the phenyl-hydrazone group is planar, the largest deviation from the mean plane being 0.0252 (12) Å, and the nitro fragment is twisted slightly with respect to the mean plane, making a dihedral angle of 6.96 (17)°. The cyclo-heaxanone ring displays a chair conformation. An intra-molecular N-H⋯O hydrogen bond helps to stabilize the mol-ecular structure.

摘要

在标题席夫碱化合物C(12)H(15)N(3)O(2)中,它由环己酮与2-硝基苯肼的缩合反应制得,苯腙基团呈平面状,与平均平面的最大偏差为0.0252 (12) Å,硝基片段相对于平均平面略有扭曲,二面角为6.96 (17)°。环己酮环呈椅式构象。分子内N-H⋯O氢键有助于稳定分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e30/2979490/71b07e8d35f4/e-66-o1300-fig1.jpg

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本文引用的文献

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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.

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