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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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 |
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. |
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