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Crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the di-enol tautomeric form of the compound 3,3'-[(2-sulf-an-yl-idene-1,3-di-thiole-4,5-di-yl)bis-(sulfane-di-yl)]bis-(pentane-2,4-dione).
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.
Afiliación
  • Cordero Giménez KT; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
  • Soto Díaz VY; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
  • González Espiet JC; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
  • Lavín Flores A; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
  • Bas Concepción J; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
  • Rivera Cruz KE; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
  • Rodríguez Ayala DL; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
  • Piñero Cruz DM; Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, 00927, Puerto Rico.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 9): 1427-1432, 2020 Sep 01.
Article en En | MEDLINE | ID: mdl-32939294
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 Šbetween non-stacked thione rings] short contacts.
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2020 Tipo del documento: Article País de afiliación: Puerto Rico

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2020 Tipo del documento: Article País de afiliación: Puerto Rico