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2,4-双（4-乙氧基苯基）-3-氮杂双环-[3.3.1]壬烷-9-酮

2,4-Bis(4-eth-oxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one.

作者信息

Park Dong Ho, Ramkumar V, Parthiban P

机构信息

Department of Biomedicinal Chemistry, Inje University, Gimhae, Gyeongnam 621 749, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2841. doi: 10.1107/S1600536812037385. Epub 2012 Sep 5.

DOI:10.1107/S1600536812037385
PMID:23125645
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3470201/
Abstract

The title compound, C(24)H(29)NO(3), exists in a twin-chair conformation with an equatorial orientation of the 4-eth-oxy-phenyl groups. The benzene rings are inclined to each other at an angle of 28.0 (1)°. In the crystal, weak C-H⋯O inter-actions link mol-ecules related by translation into chains along the b axis. The crystal packing exhibits π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.692 (3) Å].

摘要

标题化合物C(24)H(29)NO(3)以双椅式构象存在，4-乙氧基苯基基团呈赤道取向。苯环彼此间倾斜角度为28.0 (1)°。在晶体中，弱的C-H⋯O相互作用将通过平移相关的分子连接成沿b轴的链。晶体堆积显示相邻分子的苯环之间存在π-π相互作用[质心-质心距离 = 3.692 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a87c/3470201/e05ae6e075d7/e-68-o2841-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a87c/3470201/e05ae6e075d7/e-68-o2841-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a87c/3470201/e05ae6e075d7/e-68-o2841-fig1.jpg

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