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

Abstract:

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 SO<inf>2</inf> group. Besides, biofilm formation and QS activity were evaluated on this new bis- (methylsulfonylmethyl) sulfone.

Año de publicación:

2021

Keywords:

• Hirshfeld surface analysis
• Hyperconjugation Effects
• Vibrational spectroscopy
• X-ray crystal structure

Fuente:

scopus