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5 -（2 - 氰基 - 苄基）- 4,5,6,7 - 四氢 - 噻吩并[3,2 - c]吡啶 - 2 - 基乙酸酯

5-(2-Cyano-benz-yl)-4,5,6,7-tetra-hydro-thieno[3,2-c]pyridin-2-yl acetate.

作者信息

Xie Xiao-Shuai, Mu Shuai, Liu Ying, Liu Deng-Ke

机构信息

Tianjin First Central Hospital, Tianjin 300192, People's Republic of China ; Tianjin Medical University, Tianjin 300070, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):o713. doi: 10.1107/S1600536813009513. Print 2013 May 1.

DOI:10.1107/S1600536813009513
PMID:23723866
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648246/
Abstract

In the title mol-ecule, C17H16N2O2S, the tetra-hydro-pyridine ring exhibits a half-chair conformation. The mean planes of the ester chain and benzene ring are twisted by 5.5 (1) and 81.32 (5)°, respectively, from the plane of thio-phene ring. In the crystal, weak C-H⋯O inter-actions link mol-ecules related by translation along [100] into chains.

摘要

在标题分子C₁₇H₁₆N₂O₂S中，四氢吡啶环呈半椅式构象。酯链和苯环的平均平面分别相对于噻吩环平面扭转了5.5 (1)°和81.32 (5)°。在晶体中，弱的C—H⋯O相互作用将沿[100]平移相关的分子连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4306/3648246/42cd7c323dbf/e-69-0o713-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4306/3648246/42cd7c323dbf/e-69-0o713-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4306/3648246/42cd7c323dbf/e-69-0o713-fig1.jpg

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