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(1-金刚烷基)(3-氨基苯基)甲酮

(1-Adamant-yl)(3-amino-phen-yl)methanone.

作者信息

Rouchal Michal, Nečas Marek, Vícha Robert

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3198. doi: 10.1107/S1600536811046009. Epub 2011 Nov 5.

DOI:10.1107/S1600536811046009
PMID:22199718
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238865/
Abstract

In the crystal sructure of the title compound, C(17)H(21)NO, the mol-ecular packing is stabilized by inter-molecular N-H⋯O hydrogen bonds and additional weak N-H⋯π inter-actions, forming chains that propagate along the b axis. Conjugation of the carbonyl group and the benzene ring is rather attenuated due to a twisting of the carbonyl group from the plane of the benzene ring [torsion angle = 27.1 (2)°].

摘要

在标题化合物C₁₇H₂₁NO的晶体结构中,分子堆积通过分子间N-H⋯O氢键和额外的弱N-H⋯π相互作用得以稳定,形成沿b轴延伸的链。由于羰基相对于苯环平面发生扭转[扭转角 = 27.1 (2)°],羰基与苯环的共轭作用相当减弱。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3596/3238865/d8c8e7f57871/e-67-o3198-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3596/3238865/ec13876fa626/e-67-o3198-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3596/3238865/d8c8e7f57871/e-67-o3198-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3596/3238865/ec13876fa626/e-67-o3198-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3596/3238865/d8c8e7f57871/e-67-o3198-fig2.jpg

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