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2-（4-氟苯胺基）-3-（2-羟乙基）喹唑啉-4（3H）-酮

2-(4-Fluoro-anilino)-3-(2-hydroxy-ethyl)quinazolin-4(3H)-one.

作者信息

Zhang Qian, Jiao Yuan-Hong, Liu Bin, Chen Xue-Mei, Ruan Min, Xu Ling-Hua

机构信息

School of Chemistry and Material Engineering, Huangshi Institute of Technology, Huangshi 435003, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):o638. doi: 10.1107/S1600536809006254.

DOI:10.1107/S1600536809006254
PMID:21582287
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968625/
Abstract

The mol-ecular and crystal structures of the title compound, C(16)H(14)FN(3)O(2), are stabilized by intra-molecular N-H⋯O and inter-molecular O-H⋯O hydrogen bonds. The existence of non-classical intra-molecular C-H⋯N hydrogen bonds provides a dihedral angle between the fluoro-substituted benzene and pyrimidinone rings of 7.9 (1)°.

摘要

标题化合物C(16)H(14)FN(3)O(2)的分子结构和晶体结构通过分子内N-H⋯O和分子间O-H⋯O氢键得以稳定。非经典分子内C-H⋯N氢键的存在使得氟取代苯环与嘧啶酮环之间的二面角为7.9 (1)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/092e/2968625/f5efde87b706/e-65-0o638-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/092e/2968625/4a8791e71f92/e-65-0o638-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/092e/2968625/f5efde87b706/e-65-0o638-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/092e/2968625/4a8791e71f92/e-65-0o638-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/092e/2968625/f5efde87b706/e-65-0o638-fig2.jpg

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本文引用的文献

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2-(4-Chloro-anilino)-3-(2-hydroxy-ethyl)quinazolin-4(3H)-one.2-（4-氯苯胺基）-3-（2-羟乙基）喹唑啉-4（3H）-酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 13;64(Pt 12):o2325. doi: 10.1107/S1600536808036623.
2
3-(2-Amino-ethyl)-2-(4-fluoroanilino)-quinazolin-4(3H)-one.3-(2-氨基-乙基)-2-(4-氟苯胺基)-喹唑啉-4(3H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 31;64(Pt 11):o2240. doi: 10.1107/S1600536808035058.
3
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.