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10 -(丙 - 1 - 炔 - 1 - 基)- 10H - 吩噻嗪

10-(Prop-1-yn-1-yl)-10H-phenothia-zine.

作者信息

Umezono Satoru, Okuno Tsunehisa

机构信息

Department of Material Science and Chemistry, Wakayama University, Sakaedani, Wakayama 640-8510, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2790. doi: 10.1107/S1600536812036537. Epub 2012 Aug 25.

DOI:10.1107/S1600536812036537
PMID:22969666
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435820/
Abstract

In the title compound, C(15)H(11)NS, the asymmetric unit comprises one half-mol-ecule; a mirror plane passes through the S atom, the ynamine fragment, the methyl C atom and one methyl H atom. The phenothia-zine moiety has a butterfly conformation and the central six-membered ring has a boat conformation. The dihedral angle between the benzene rings is 149.40 (4)°. The crystal structure is stabilized by van der Waals inter-actions.

摘要

在标题化合物C₁₅H₁₁NS中,不对称单元包含半个分子;一个镜面穿过S原子、ynamine片段、甲基C原子和一个甲基H原子。吩噻嗪部分具有蝶形构象,中心六元环具有船式构象。苯环之间的二面角为149.40(4)°。晶体结构通过范德华相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b48/3435820/5a08c440a98a/e-68-o2790-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b48/3435820/5a08c440a98a/e-68-o2790-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b48/3435820/5a08c440a98a/e-68-o2790-fig1.jpg

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