Abstract
The reaction between [TBA]2[Zn(dmit)2] and 3-chloro-2,4-penta-nedione 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), C13H14O4S5, after solvent evaporation. The title compound crystallizes in the triclinic space group P with two mol-ecules 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)°. Intra-molecular 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.
Highlights
The title compound crystallizes in the triclinic space group P1 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
Adjacent asymmetric units are linked by C—HÁ Á ÁS (2.89–2.90 A ), SÁ Á ÁS [3.569 (1) A ] and OÁ Á ÁH [2.56–2.66 Abetween non-stacked thione rings] short contacts
Summary
Dithiolene systems (McCleverty et al, 1968) are a versatile family of compounds in coordination chemistry because of their redox non-innocent behavior (Eisenberg et al, 2011) These compounds are electronically flexible and contribute to the stability of several redox processes observed in metal complexes, which are not necessarily ‘metal-based’ (Stiefel, 2004; Periyasamy et al, 2007). Their electronic spin states can be clarified with the combined insights afforded by spectroscopic data, X-ray crystallography and computational analysis (Eisenberg et al, 2011; Yan et al, 2013; Lyaskovskyy et al, 2012). This aspect is confirmed by its FT–IR and NMR spectra
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