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7-苄基-3-(4-氟苯基)-2-(吡咯烷-1-基)-5,6,7,8-四氢吡啶并[4',3':4,5]噻吩并[2,3-d]嘧啶-4(3H)-酮

7-Benzyl-3-(4-fluoro-phen-yl)-2-(pyrrol-idin-1-yl)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

作者信息

Chen Hong, Hu Hai-Jun, Yan Kai, Dai Qiu-Hong

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2228. doi: 10.1107/S1600536811030625. Epub 2011 Aug 2.

DOI:10.1107/S1600536811030625
PMID:22065028
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200784/
Abstract

In the title compound, C(26)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.066 Å), with a maximum deviation of 0.1243 (17) Å for the N atom adjacent to the carbonyl group. This ring system forms dihedral angles of 67.5 (1) and 88.9 (1) ° with the adjacent six-membered rings. Inter-molecular C-H⋯O hydrogen bonding and C-H⋯π inter-actions help to stabilize the crystal structure.

摘要

在标题化合物C(26)H(25)FN(4)OS中，噻吩并嘧啶稠环体系接近平面（均方根偏差 = 0.066 Å），与羰基相邻的N原子的最大偏差为0.1243 (17) Å。该环体系与相邻的六元环形成的二面角分别为67.5 (1)°和88.9 (1)°。分子间的C-H⋯O氢键和C-H⋯π相互作用有助于稳定晶体结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0819/3200784/4efa073bf0b3/e-67-o2228-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0819/3200784/98da19387329/e-67-o2228-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0819/3200784/3ec9ce8c53d1/e-67-o2228-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0819/3200784/4efa073bf0b3/e-67-o2228-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0819/3200784/98da19387329/e-67-o2228-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0819/3200784/3ec9ce8c53d1/e-67-o2228-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0819/3200784/4efa073bf0b3/e-67-o2228-fig3.jpg

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