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4-[5-氨基-4-(4-氟苯基)-3-(吡啶-4-基)-1H-吡唑-1-基]苯甲腈

4-[5-Amino-4-(4-fluoro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzo-nitrile.

作者信息

Abu Thaher Bassam, Koch Pierre, Schollmeyer Dieter, Laufer Stefan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o935. doi: 10.1107/S160053681200877X. Epub 2012 Mar 3.

DOI:10.1107/S160053681200877X
PMID:22589998
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3343917/
Abstract

In the crystal structure of the title compound, C(21)H(14)FN(5), the pyrazole ring forms dihedral angles of 38.0 (1), 40.0 (1) and 28.5 (1)° with the directly attached 4-fluoro-phenyl, pyridine and benzonitrile rings, respectively. The crystal packing is characterized by N-H⋯N hydrogen bonds, which result in a two-dimensional network parallel to the ac-plane.

摘要

在标题化合物C(21)H(14)FN(5)的晶体结构中，吡唑环与直接相连的4-氟苯基、吡啶和苯腈环分别形成38.0 (1)°、40.0 (1)°和28.5 (1)°的二面角。晶体堆积的特征是存在N-H⋯N氢键，这导致形成了一个平行于ac平面的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec56/3343917/c0ad6c110e3e/e-68-0o935-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec56/3343917/09765ed6ac25/e-68-0o935-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec56/3343917/c0ad6c110e3e/e-68-0o935-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec56/3343917/09765ed6ac25/e-68-0o935-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec56/3343917/c0ad6c110e3e/e-68-0o935-fig2.jpg

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