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2-（二丁基氨基）-3-（4-氟苯基）-5,6,7,8-四氢-7-甲基-6,8-二苯基吡啶-[3',4':2,3]噻吩并[5,4-d]嘧啶-4（3H）-酮

2-(Dibutyl-amino)-3-(4-fluoro-phen-yl)-5,6,7,8-tetra-hydro-7-methyl-6,8-di-phenyl-pyridine-[3',4':2,3]thieno[5,4-d]pyrimidin-4(3H)-one.

作者信息

Zeng Guo-Ping, Li Qing, Hu Yang-Gen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 30;64(Pt 2):o535. doi: 10.1107/S1600536808002845.

DOI:10.1107/S1600536808002845
PMID:21201554
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960238/
Abstract

In the crystal structure of the title compound, C(36)H(39)FN(4)OS, the two fused rings of the thienopyrimidine system are coplanar. The 4-fluoro-phenyl ring is twisted with respect to the heterocyclic pyrimidinone ring by 67.21 (14)°. The piperidine ring shows a half-chair conformation. One of the n-butyl chains is disordered equally over two sites. The crystal packing is stabilized by C-H⋯O hydrogen bonds.

摘要

在标题化合物C(36)H(39)FN(4)OS的晶体结构中，噻吩并嘧啶体系的两个稠环是共面的。4-氟苯基环相对于杂环嘧啶酮环扭转了67.21 (14)°。哌啶环呈半椅构象。其中一条正丁基链在两个位置上无序分布且占有率相等。晶体堆积通过C-H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4d75/2960238/4e4a7cd27b0f/e-64-0o535-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4d75/2960238/4e4a7cd27b0f/e-64-0o535-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4d75/2960238/4e4a7cd27b0f/e-64-0o535-fig1.jpg

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A short history of SHELX.SHELX简史。
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