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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)

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 crystallize...

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Detalles Bibliográficos
Autores principales: Cordero Giménez, Keysha T., Soto Díaz, Victoria Y., González Espiet, Jean C., Lavín Flores, Alexis, Bas Concepción, Jesbaniris, Rivera Cruz, Kevin E., Rodríguez Ayala, Dara L., Piñero Cruz, Dalice M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472771/
https://www.ncbi.nlm.nih.gov/pubmed/32939294
http://dx.doi.org/10.1107/S2056989020010695
Descripción
Sumario: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 [Image: see text] 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.