Title of article :
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)
Author/Authors :
Giménez, Keysha T. Cordero Department of Chemistry - University of Puerto Rico, Puerto Rico , Soto Díaz, Victoria Y. Department of Chemistry - University of Puerto Rico, Puerto Rico , González Espiet, Jean C. Department of Chemistry - University of Puerto Rico, Puerto Rico , Flores, Alexis Lavín Department of Chemistry - University of Puerto Rico, Puerto Rico , Concepción, Jesbaniris Bas Department of Chemistry - University of Puerto Rico, Puerto Rico , Rivera Cruz, Kevin E. Department of Chemistry - University of Puerto Rico, Puerto Rico , Rodríguez Ayala, Dara L. Department of Chemistry - University of Puerto Rico, Puerto Rico , Piñero Cruz, Dalice M. Department of Chemistry - University of Puerto Rico, Puerto Rico
Pages :
11
From page :
1
To page :
11
Abstract :
The reaction between [TBA]2[Zn(dmit)2] and 3-chloro-2,4-pentanedione yielded single crystals of the title compound, (3E,30 E)-3,30 -[(2-sulfanylidene1,3-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 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. 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 A˚ ). Adjacent asymmetric units are linked by C—HS (2.89–2.90 A˚ ), SS [3.569 (1) A˚ ] and OH [2.56–2.66 A˚ between non-stacked thione rings] short contacts.
Keywords :
di­thio­les , redox state , non-innocent , tautomerism , crystal structure.
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2020
Full Text URL :
Record number :
2622916
Link To Document :
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