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（3E，5E）-3，5-双（2-氯亚苄基）-1-丙基-4-哌啶酮

(3E,5E)-3,5-Bis(2-chloro-benzyl-idene)-1-propyl-piperidin-4-one.

作者信息

Yang Quanzhi, Chen Lingzi, Weng Bixia, Fan Lei, Wu Xiaoping

机构信息

School of Pharmacy, Wenzhou Medical College, Wenzhou, Zhejiang Province 325035, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o63. doi: 10.1107/S1600536812049252. Epub 2012 Dec 8.

DOI:10.1107/S1600536812049252
PMID:23476444
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588387/
Abstract

The title compound, C22H21Cl2NO, is a derivative of mono-carbonyl analogues of curcumin (MACs). The mol-ecule has an E conformation for each of the olefinic bonds. The 1-propyl-piperidin-4-one ring has a distorted chair conformation with the ring N and the C and O atoms of the carbonyl group deviating from the mean plane of the remaining four ring C atoms by 0.682 (2), -0.134 (3) and -0.340 (4) Å, respectively. The dihedral angle between the benzene rings is 26.5 (1)°. In the crystal, mol-ecules are connected by weak C-H⋯O and C-H⋯π inter-actions.

摘要

标题化合物C22H21Cl2NO是姜黄素单羰基类似物（MACs）的衍生物。该分子的每个烯键均具有E构型。1-丙基-哌啶-4-酮环呈扭曲的椅式构象，环N以及羰基的C和O原子分别偏离其余四个环C原子的平均平面0.682 (2)、-0.134 (3) 和-0.340 (4) Å。苯环之间的二面角为26.5 (1)°。在晶体中，分子通过弱C-H⋯O和C-H⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a745/3588387/823864a410b3/e-69-00o63-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a745/3588387/90ca052f50cb/e-69-00o63-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a745/3588387/823864a410b3/e-69-00o63-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a745/3588387/90ca052f50cb/e-69-00o63-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a745/3588387/823864a410b3/e-69-00o63-fig2.jpg

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