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10 -（4 - 氟苯基）- 4 - [（4 - 氟苯基）氨基] - 5 - 苯基 - 5,8,9,10 - 四氢嘧啶并[4,5 - ]喹啉 - 6（7）- 酮

10-(4-Fluoro-phen-yl)-4-[(4-fluoro-phen-yl)amino]-5-phenyl-5,8,9,10-tetra-hydro-pyrimido[4,5-]quin-olin-6(7)-one.

作者信息

Zamisa Sizwe J, Adeleke Adesola A, Omondi Bernard

机构信息

School of Agriculture and Science, Discipline of Chemistry, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, Republic of , South Africa.

出版信息

IUCrdata. 2025 Aug 12;10(Pt 8):x250704. doi: 10.1107/S2414314625007047. eCollection 2025 Aug.

DOI:10.1107/S2414314625007047
PMID:40917536
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12412685/
Abstract

The asymmetric unit of the title compound, CHFNO, consists of one mol-ecule in which the pyrimidinyl and anilinyl units exhibit near coplanarity, subtending a dihedral angle of 10.22 (7)°. In contrast, the di-hydro-pyridine and phenyl rings are nearly perpendicular, making angles of 88.66 (7) and 89.14 (7)°. The crystal packing features alternating C-H⋯π and C-F⋯π inter-actions that generate a corrugated two-dimensional supra-molecular network in the crystallographic plane. This structure is further consolidated into a three-dimensional architecture by C-H⋯F hydrogen bonding.

摘要

标题化合物CHFNO的不对称单元由一个分子组成，其中嘧啶基和苯胺基单元近乎共面，二面角为10.22 (7)°。相比之下，二氢吡啶环和苯环近乎垂直，夹角分别为88.66 (7)°和89.14 (7)°。晶体堆积具有交替的C-H⋯π和C-F⋯π相互作用，在晶体学平面上形成了一个波纹状的二维超分子网络。通过C-H⋯F氢键，这种结构进一步巩固为三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a37d/12412685/626fe9028b09/x-10-x250704-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a37d/12412685/761d7131d493/x-10-x250704-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a37d/12412685/626fe9028b09/x-10-x250704-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a37d/12412685/761d7131d493/x-10-x250704-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a37d/12412685/626fe9028b09/x-10-x250704-fig2.jpg

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本文引用的文献

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The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7).DNA与牛血清白蛋白-色烯嘧啶复合物的相对稳定性常数与人乳腺癌细胞（MCF-7）细胞毒性之间的联系。
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