Crystal structure of 3-(1,3-dithiolan-2-ylidene)pentane-2,4-dione

This compound with molecular formula C8H10O2S2 crystallized in the orthorhombic space group Pca21 (Z = 4) with unitcell parameters a = 7.3576(9)Å, b = 14.2238(11)Å, c = 8.714(2)Å. The structure was solved by direct methods and refined to R = 0.0309. This compound approximates the rare ZZ conformation in which both the ketenedithioacetal group and the oxygen atoms are on the same plane with the sulfur atoms close to the respective oxygen atoms. 2007 © The Japan Society for Analytical Chemistry.