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).
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 -176.18â
(8) and -0.54â
(18)°. Intra-molecular hydrogen bonds occur within the two dione substituents (1.67-1.69â
Å). Adjacent asymmetric units are linked by C-Hâ¯S (2.89-2.90â
Å), Sâ¯S [3.569â
(1)â
Å] and Oâ¯H [2.56-2.66â
Å between non-stacked thione rings] short contacts.
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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