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4-（2-丙炔基）-2H-1,4-苯并噻嗪-3（4H）-酮

4-(Prop-2-yn-yl)-2H-1,4-benzo-thia-zin-3(4H)-one.

作者信息

Sebbar Nada Kheira, Zerzouf Abdelfettah, Essassi El Mokhtar, Saadi Mohamed, El Ammari Lahcen

机构信息

Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco.

Laboratoire de Chimie Organique et Etudes Physicochimiques, ENS Takaddoum, Rabat, Morocco.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 10;70(Pt 6):o641. doi: 10.1107/S160053681400943X. eCollection 2014 Jun 1.

DOI:10.1107/S160053681400943X
PMID:24940228
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4050998/
Abstract

In the title compound, C11H9NOS, the six-membered heterocycle of the benzo-thia-zine fragment exhibits a screw-boat conformation. The benzene ring makes a dihedral angle of 79.4 (1)° with the mean plane through the prop-2-ynyl chain and the ring N atom. In the crystal, mol-ecules are linked by C-H⋯O inter-actions of the acetyl-enic C-H group towards the carbonyl O atom of a neighbouring mol-ecule, forming zigzag chains running along the b-axis direction.

摘要

在标题化合物C₁₁H₉NOS中，苯并噻嗪片段的六元杂环呈扭曲船式构象。苯环与通过丙-2-炔基链和环N原子的平均平面形成79.4 (1)°的二面角。在晶体中，分子通过炔氢C-H基团与相邻分子的羰基O原子之间的C-H⋯O相互作用相连，形成沿b轴方向延伸的锯齿链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23b9/4050998/34b33de6161d/e-70-0o641-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23b9/4050998/b963a8e532d6/e-70-0o641-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23b9/4050998/34b33de6161d/e-70-0o641-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23b9/4050998/b963a8e532d6/e-70-0o641-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23b9/4050998/34b33de6161d/e-70-0o641-fig2.jpg

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