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2-[1,3-二氧代-6-(哌啶-1-基)-2,3-二氢-1H-苯并[de]异喹啉-2-基]乙酸乙酯

Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benz[de]isoquinolin-2-yl]acetate.

作者信息

Xia Song, Zheng Chun-Ling, He Fei-Fei, Shi Ya-Bin, Wang Hai-Bo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1717. doi: 10.1107/S1600536811022707. Epub 2011 Jun 18.

DOI:10.1107/S1600536811022707
PMID:21837109
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152026/
Abstract

In the title compound, C(21)H(22)N(2)O(4), the naphthalimide unit is almost planar (r.m.s. deviation = 0.081Å). The carboximide N atom and the five C atoms of the eth-oxy-carbonyl-methyl substituent also lie close to a common plane (r.m.s. deviation = 0.119Å), which subtends an angle of 71.06 (8)° to the naphthalamide plane. The piperidine ring adopts a chair conformation. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the a axis.

摘要

在标题化合物C₂₁H₂₂N₂O₄中,萘酰亚胺单元几乎是平面的(均方根偏差 = 0.081Å)。羧酰亚胺N原子和乙氧基羰基甲基取代基的五个C原子也靠近一个共同平面(均方根偏差 = 0.119Å),该平面与萘酰胺平面的夹角为71.06 (8)°。哌啶环呈椅式构象。在晶体中,分子间的C—H⋯O氢键将分子沿a轴连接成锯齿链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4d0/3152026/289d72150790/e-67-o1717-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4d0/3152026/029ae807212d/e-67-o1717-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4d0/3152026/289d72150790/e-67-o1717-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4d0/3152026/029ae807212d/e-67-o1717-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4d0/3152026/289d72150790/e-67-o1717-fig2.jpg

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本文引用的文献

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