info:eu-repo/semantics/article
Synthesis, characterization and crystal structure of bis-(methylsulfonylmethyl) sulfone, a symmetric acyclic trisulfone
Fecha
2021-04-15Registro en:
Galván, Jorge Edgardo; Piro, Oscar Enrique; Echeverría, Gustavo Alberto; Molina, Rocío Daniela Inés; Arena, Mario Eduardo; et al.; Synthesis, characterization and crystal structure of bis-(methylsulfonylmethyl) sulfone, a symmetric acyclic trisulfone; Elsevier; Journal of Molecular Structure; 1230; 15-4-2021; 1-8
0022-2860
CONICET Digital
CONICET
Autor
Galván, Jorge Edgardo
Piro, Oscar Enrique
Echeverría, Gustavo Alberto
Molina, Rocío Daniela Inés
Arena, Mario Eduardo
Contreras Aguilar, Elizabeth
Ulic, Sonia Elizabeth
Tuttolomondo, María Eugenia
Ben Altabef, Aida
Resumen
Bis - (methylsulfonylmethyl) sulfone, BMSMS, was synthesized and characterized through vibrational (IR, Raman) spectroscopy. The crystal structure of BMSMS, determined by X-ray diffraction methods, together with Hirshfeld surfaces analysis were used to evaluate intermolecular interactions. BMSMS can be considered as one-turn helix of about 7.13 Å, further stabilized by weak intra-molecular CH•••O bonds. The experimental results were supplemented by quantum chemical calculations. It was also analyzed the hyperconjugative effects of oxygen atoms lone pairs (LP) on the vibrational behavior of the SO2 group. Besides, biofilm formation and QS activity were evaluated on this new bis- (methylsulfonylmethyl) sulfone.