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1-(4-苄氧基-5-甲氧基-2-硝基苯基)乙酮

1-(4-Benz-yloxy-5-meth-oxy-2-nitro-phen-yl)ethanone.

作者信息

Gao Lei, Guo Li-Hua, Liu Rui, Que Dan-Hua, Ma Hong-Fei

机构信息

Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):o1005. doi: 10.1107/S1600536809011532.

DOI:10.1107/S1600536809011532
PMID:21583830
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977694/
Abstract

In the mol-ecule of the title compound, C(16)H(15)NO(5), the aromatic rings are oriented at a dihedral angle of 74.89 (3)°. Intra-molecular C-H⋯O inter-actions result in the formation of a seven-membered ring. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into chains along the b axis.

摘要

在标题化合物C(16)H(15)NO(5)的分子中,芳环以74.89 (3)°的二面角取向。分子内C-H⋯O相互作用导致形成一个七元环。在晶体结构中,弱的分子间C-H⋯O相互作用将分子沿b轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec60/2977694/7b28f34ef8d6/e-65-o1005-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec60/2977694/54d4dc31e551/e-65-o1005-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec60/2977694/7b28f34ef8d6/e-65-o1005-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec60/2977694/54d4dc31e551/e-65-o1005-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec60/2977694/7b28f34ef8d6/e-65-o1005-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
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2
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.
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Design, synthesis, photochemical properties and cytotoxic activities of water-soluble caged L-leucyl-L-leucine methyl esters that control apoptosis of immune cells.控制免疫细胞凋亡的水溶性笼状L-亮氨酰-L-亮氨酸甲酯的设计、合成、光化学性质及细胞毒性活性
Bioorg Med Chem. 2002 Mar;10(3):675-83. doi: 10.1016/s0968-0896(01)00323-6.