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2,3-二苯基-2,3-二氢-4H-吡啶并[3,2-e][1,3]噻嗪-4-酮

2,3-Diphenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one.

作者信息

Yennawar Hemant P, Singh Harnoor, Silverberg Lee J

机构信息

Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA.

Pennsylvania State University, Schuylkill Campus, 200 University Drive, Schuylkill Haven, PA 17972, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 3;70(Pt 6):o638. doi: 10.1107/S1600536814009714. eCollection 2014 Jun 1.

DOI:10.1107/S1600536814009714
PMID:24940225
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4051078/
Abstract

In the racemic title compound, C19H14N2OS, the two phenyl substituents on the 1,3-thia-zine ring are almost perpendicular to the pyridine ring which is fused to the thia-zine ring [inter-ring dihedral angles = 87.90 (8) and 85.54 (7)°]. The dihedral angle between the two phenyl rings is 75.11 (7)°. The six-membered thia-zine ring has an envelope conformation with the ortho-related C atom forming the flap. The crystals exhibit face-to-edge aromatic-ring interactions with the nearest C-H⋯C distance equal to 3.676 (3) Å.

摘要

在消旋标题化合物C₁₉H₁₄N₂OS中，1,3-硫氮杂环上的两个苯基取代基几乎垂直于与硫氮杂环稠合的吡啶环[环间二面角 = 87.90 (8) 和85.54 (7)°]。两个苯环之间的二面角为75.11 (7)°。六元硫氮杂环具有信封式构象，邻位相关的C原子形成瓣。晶体表现出面-边芳香环相互作用，最近的C—H⋯C距离等于3.676 (3) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfe/4051078/b160e9492947/e-70-0o638-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfe/4051078/4250aaddddd5/e-70-0o638-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfe/4051078/b160e9492947/e-70-0o638-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfe/4051078/4250aaddddd5/e-70-0o638-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfe/4051078/b160e9492947/e-70-0o638-fig2.jpg

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