Synthesis, characterization and crystal structure of bis-(methylsulfonylmethyl) sulfone, a symmetric acyclic trisulfone

PIRO, O.E.; ARENA, M.E.; TUTTOLOMONDO, M.E.; ECHEVERRIA, G.; AGUILAR, E. CONTRERAS; ALTABEF, A. BEN; GALVÁN, J.E.; MOLINA, R.D.I.; ULIC, S.E.

JOURNAL OF MOLECULAR STRUCTURE

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2021 vol. 1230

0022-2860

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.