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4-（金刚烷-1-基）-2-（4-氟苯基）喹啉

4-(Adamantan-1-yl)-2-(4-fluoro-phen-yl)quinoline.

作者信息

Kozubková Zuzana, Babjaková Eva, Bartoš Peter, Vícha Robert

机构信息

Department of Chemistry, Faculty of Technology, Tomas Bata University in Zlin, Nám. T. G. Masaryka 275, Zlín, 762 72, Czech Republic.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 15;69(Pt 6):o882. doi: 10.1107/S1600536813012336. Print 2013 Jun 1.

DOI:10.1107/S1600536813012336
PMID:23795058
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3685039/
Abstract

In the mol-ecule of the title compound, C25H24FN, the dihedral angle between the best planes of the quinoline fragment (rings A and B) and the benzene ring (C) is 9.51 (4)°. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of weak C-H⋯F inter-actions. The mol-ecules are stacked into chains along the a axis by weak off-set π-π inter-actions between the A and C rings of translation-related mol-ecules with a centroid-centroid distance of 3.6440 (2) Å.

摘要

在标题化合物C₂₅H₂₄FN的分子中，喹啉片段（环A和B）的最佳平面与苯环（C）之间的二面角为9.51（4）°。在晶体中，分子通过成对的弱C-H⋯F相互作用连接成中心对称二聚体。分子通过平移相关分子的A环和C环之间的弱错位π-π相互作用沿a轴堆积成链，质心间距为3.6440（2）Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cdf/3685039/1bb970d25c23/e-69-0o882-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cdf/3685039/f55611c0b5a1/e-69-0o882-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cdf/3685039/1bb970d25c23/e-69-0o882-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cdf/3685039/f55611c0b5a1/e-69-0o882-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cdf/3685039/1bb970d25c23/e-69-0o882-fig2.jpg

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本文引用的文献

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Synthesis, anti-tuberculosis activity and 3D-QSAR study of amino acid conjugates of 4-(adamantan-1-yl) group containing quinolines.含4-（金刚烷-1-基）喹啉的氨基酸共轭物的合成、抗结核活性及三维定量构效关系研究
Eur J Med Chem. 2009 May;44(5):2017-29. doi: 10.1016/j.ejmech.2008.10.004. Epub 2008 Oct 11.
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