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4-（噻吩-2-基）-2-[4-（三氟甲基）苯基]-2,3-二氢-1,5-苯并硫氮杂䓬

4-(Thio-phen-2-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-2,3-di-hydro-1,5-benzo-thia-zepine.

作者信息

Manjunath B C, Manjula M, Raghavendra K R, Ajay Kumar K, Lokanath N K

机构信息

Department of Studies in Physics, Manasagangotri, University of Mysore, Mysore 570 006, India.

Department of Studies in Chemistry, Manasagangotri, University of Mysore, Mysore 570 006, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 8;70(Pt 3):o261. doi: 10.1107/S1600536814002529. eCollection 2014 Mar 1.

DOI:10.1107/S1600536814002529
PMID:24764977
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998467/
Abstract

In the title compound, C20H14F3NS2, the seven-membered thia-zepine ring adopts a slightly distorted twist-boat conformation. The mean plane of the five-membered thio-phene ring fused to the thia-zepine ring is twisted by 32.3 (3) and 55.6 (4)° from the benzene and phenyl rings, respectively. In the crystal, inversion dimers linked by pairs of weak C-H⋯N inter-actions are observed.

摘要

在标题化合物C20H14F3NS2中，七元硫氮杂环庚烷环呈轻微扭曲的扭船构象。与硫氮杂环庚烷环稠合的五元噻吩环的平均平面分别相对于苯环和苯基环扭转了32.3（3）°和55.6（4）°。在晶体中，观察到通过弱C-H⋯N相互作用对连接的反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e7a/3998467/bf88597f9f01/e-70-0o261-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e7a/3998467/a47426befaab/e-70-0o261-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e7a/3998467/bf88597f9f01/e-70-0o261-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e7a/3998467/a47426befaab/e-70-0o261-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e7a/3998467/bf88597f9f01/e-70-0o261-fig2.jpg

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本文引用的文献

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2-(4-Fluoro-phen-yl)-4-(thio-phen-2-yl)-2,3-di-hydro-1,5-benzothia-zepine.2-(4-氟苯基)-4-(噻吩-2-基)-2,3-二氢-1,5-苯并硫氮杂䓬
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Palladium-catalyzed domino ring-opening/carboxamidation reactions of N-tosyl aziridines and 2-iodothiophenols: a facile and efficient approach to 1,4-benzothiazepin-5-ones.钯催化的 N-对甲苯磺酰基氮丙啶和 2-碘代噻酚的串联环开/羧酰胺化反应：一种制备 1,4-苯并噻嗪-5-酮的简便高效方法。
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