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3-甲氧基-4-[3-(2-甲基-4-硝基-1H-咪唑-1-基)丙氧基]苯甲醛

3-Meth-oxy-4-[3-(2-methyl-4-nitro-1H-imidazol-1-yl)prop-oxy]benzaldehyde.

作者信息

Jin Lei, Wang Guang-Zhou, Zhou Cheng-He

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 15;65(Pt 9):o2164. doi: 10.1107/S1600536809031894.

DOI:10.1107/S1600536809031894
PMID:21577572
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969872/
Abstract

In the title mol-ecule, C(15)H(17)N(3)O(5), the dihedral angle between the benzene and imidazole rings is 3.69 (2)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and π-π stacking inter-actions with a centroid-centroid distance of 3.614 (1) Å.

摘要

在标题分子C(15)H(17)N(3)O(5)中，苯环和咪唑环之间的二面角为3.69 (2)°。晶体结构通过弱分子间C-H⋯O氢键和π-π堆积相互作用得以稳定，质心间距为3.614 (1) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c2bc/2969872/4fb8bed1bb11/e-65-o2164-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c2bc/2969872/4fb8bed1bb11/e-65-o2164-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c2bc/2969872/4fb8bed1bb11/e-65-o2164-fig1.jpg

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本文引用的文献

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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.
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Design, synthesis, antibacterial and QSAR studies of benzimidazole and imidazole chloroaryloxyalkyl derivatives.苯并咪唑和咪唑氯芳氧基烷基衍生物的设计、合成、抗菌及定量构效关系研究
Bioorg Med Chem. 2005 Mar 15;13(6):1931-8. doi: 10.1016/j.bmc.2005.01.014.