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4-(吡啶-2-基)-1,3-二硫醇-2-酮

4-(Pyridin-2-yl)-1,3-dithiol-2-one.

作者信息

Zhou Guoquan, Chen Xinzhi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o432. doi: 10.1107/S1600536812001407. Epub 2012 Jan 18.

Abstract

In the title compound, C(8)H(5)NOS(2), the non-H atoms are approximately coplanar [maxium deviation = 0.060 (3) Å]. The dihedral angle between the least-squares planes of the pyridine and 1,3-dithiol-2-one rings is 5.96 (17)°. The crystal packing is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and by an S⋯S close contact [3.510 (5) Å].

摘要

在标题化合物C₈H₅NOS₂中,非氢原子近似共面[最大偏差 = 0.060 (3) Å]。吡啶环和1,3 - 二硫醇 - 2 - 酮环的最小二乘平面之间的二面角为5.96 (17)°。晶体堆积通过弱的分子间C—H⋯O氢键和S⋯S紧密接触[3.510 (5) Å]得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27e6/3275189/254ddc2277f8/e-68-0o432-fig1.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.

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