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1-氯乙酰基-3,3-二甲基-2,6-二苯基哌啶-4-酮

1-Chloro-acetyl-3,3-dimethyl-2,6-di-phenyl-piperidin-4-one.

作者信息

Kavitha T, Ponnuswamy S, Jamesh M, Umamaheshwari J, Ponnuswamy M N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 30;64(Pt 10):o2041. doi: 10.1107/S1600536808030985.

DOI:10.1107/S1600536808030985
PMID:21201233
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959297/
Abstract

In the mol-ecule of the title compound, C(21)H(22)ClNO(2), the piperidine ring adopts a distorted boat conformation. The two phenyl rings are nearly orthogonal to each other with a dihedral angle of 87.1 (1)°. In the crystal structure, the mol-ecules are linked into a three-dimensional network by C-H⋯O and C-H⋯π inter-actions.

摘要

在标题化合物C₂₁H₂₂ClNO₂的分子中，哌啶环呈扭曲的船式构象。两个苯环彼此近乎正交，二面角为87.1 (1)°。在晶体结构中，分子通过C—H⋯O和C—H⋯π相互作用连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38c9/2959297/7ad10bb35cbd/e-64-o2041-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38c9/2959297/3ecb64313e3b/e-64-o2041-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38c9/2959297/7ad10bb35cbd/e-64-o2041-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38c9/2959297/3ecb64313e3b/e-64-o2041-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38c9/2959297/7ad10bb35cbd/e-64-o2041-fig2.jpg

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本文引用的文献

1
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.
2
A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl analogues.细胞毒性3,5-双（亚芳基）-4-哌啶酮及相关N-丙烯酰基类似物的构象与构效关系研究
J Med Chem. 2001 Feb 15;44(4):586-93. doi: 10.1021/jm0002580.