4,5-Dichloro-3H-1,2-dithiol-3-one

IUCrData

卷:1

Aimery De Mallmann¹  Mostafa Taoufik¹  Khaled Boukebbous²  El Adoui Laifa² 

[1] C2P2 (CNRS-UMR 5265), COMS group, Lyon 1 University, ESCPE Lyon, 43 Boulevard du 11 Novembre 1918, Villeurbanne 69626, France;

[2] Department of Chemistry, University of Constantine, BP 325, Route de Ain El Bey, Constantine 25017, Algeria;

关键词: crystal structure;    1,2-dithiol-3-one;    sulfur organic compounds;    heterocyclic compounds;   

DOI  :  10.1107/S2414314616018204

来源: DOAJ

【 摘 要 】

The crystallization from an ethyl acetate solution of the title compound, also known as dichloro-1,2-dithiacyclopentenone, C3Cl2OS2, leads to a monoclinic system with P21/n space group. The molecule displays an almost planar geometry, with a torsion angle of −2.1 (1)° for the endocyclic C—C—S—S fragment. The S—S and C=O bond lengths are 2.0521 (8) and 1.212 (3) Å, respectively. The endocyclic S—C—C angle sustained by the carbonyl group, 110.94 (16)°, deviates from the expected value of 120° for an sp2-hybridized C atom. In the crystal, short S...S, S...Cl, S...O and Cl...Cl contacts are observed.

【 授权许可】

Unknown