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

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 angstrom, further stabilized by weak intra-molecular CH center dot center dot center dot 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. (C) 2020 Published by Elsevier B.V.

Automated summary

BMSMS was synthesized and characterized through vibrational spectroscopy, with its crystal structure determined by X-ray diffraction methods. Intermolecular interactions were evaluated using Hirshfeld surfaces analysis, supplemented by quantum chemical calculations. The study also analyzed the effects of oxygen atoms lone pairs on the vibrational behavior of the SO2 group and evaluated biofilm formation and QS activity of BMSMS.