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t-3-乙基-r-2,c-6-双-(4-甲氧基-苯基)-1-硝基-哌啶-4-酮

t-3-Ethyl-r-2,c-6-bis-(4-methoxy-phen-yl)-1-nitro-sopiperidin-4-one.

作者信息

Kavitha T, Thenmozhi M, Ponnuswamy S, Sakthivel P, Ponnuswamy M N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1765. doi: 10.1107/S1600536809024878.

DOI:10.1107/S1600536809024878
PMID:21583475
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977124/
Abstract

In the title mol-ecule, C(21)H(24)N(2)O(4), the piperidine ring adopts a distorted boat conformation with the ethyl substituent in the axial position. The dihedral angle between the two benzene rings is 70.25 (9)°. An intra-molecular C-H⋯O inter-action is observed. In the crystal, mol-ecules are linked into a chain along the c axis by C-H⋯O hydrogen bonds and the chains are linked via weak C-H⋯π inter-actions.

摘要

在标题分子C(21)H(24)N(2)O(4)中,哌啶环呈扭曲的船式构象,乙基取代基处于轴向位置。两个苯环之间的二面角为70.25 (9)°。观察到分子内存在C—H⋯O相互作用。在晶体中,分子通过C—H⋯O氢键沿c轴连接成链,且这些链通过弱C—H⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21f4/2977124/c487b1038fc9/e-65-o1765-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21f4/2977124/0331877f0b81/e-65-o1765-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21f4/2977124/c487b1038fc9/e-65-o1765-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21f4/2977124/0331877f0b81/e-65-o1765-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21f4/2977124/c487b1038fc9/e-65-o1765-fig2.jpg

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本文引用的文献

1
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
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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.