Crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the di-enol tautomeric form of the compound 3,3′-[(2-sulf­an­yl­idene-1,3-di­thiole-4,5-di­yl)bis­(sulfane­di­yl)]bis­(pentane-2,4-dione)

Abstract

The reaction between [TBA] 2 [Zn(dmit) 2 ] and 3-chloro-2,4-penta­nedione yielded single crystals of the title compound, (3E,3′E)-3,3′-[(2-sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(4-hydroxypent-3-en-2-one), C 13 H 14 O 4 S 5, after solvent evaporation. The title compound crystallizes in the triclinic space group P with two mol­ecules related by an inversion center present in the unit cell. The central thione ring moiety contains a carbon-carbon double bond covalently linked to two sulfoxide substituents located outside of the plane of the ring. The S - C - C - S torsion angles are -176.18 (8) and -0.54 (18)°. Intra­molecular hydrogen bonds occur within the two dione substituents (1.67-1.69 Å). Adjacent asymmetric units are linked by C - H⋯S (2.89-2.90 Å), S⋯S [3.569 (1) Å] and O⋯H [2.56-2.66 Å between non-stacked thione rings] short contacts.