Synthesis, characterization and crystal structure of 2-chloroethyl(methylsulfonyl)methanesulfonate

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

NEW JOURNAL OF CHEMISTRY

ROYAL SOC CHEMISTRY

Año: 2018

1144-0546

The aim of this work is to evaluate the structural, vibrational properties and the biologicalactivity of 2-Chloroethyl (methylsulfonyl) methanesulfonate, CH3SO2CH2SO2OCH2CH2Cl(Clomesone). The solid state molecular structure has been isolated and characterized byexperimental (X-ray diffraction) and theoretical (DFT method) methodologies. Themolecules are packed through C?H···O bifurcated interactions and Cl···Cl interactions.The experimental investigations were supplemented by quantum chemical calculation andHirshfeld surface calculations. Furthermore, the infrared and Raman spectra for the solidphase have been recorded and the observed bands assigned to the vibrational normalmodes. The study was completed by The Atoms-in-Molecules (AIM) theory and naturalPage 1 of 30 New Journal of ChemistryNew Journal of Chemistry Accepted Manuscript Published on 24 May 2018. Downloaded by Kaohsiung Medical University on 24/05/2018 20:02:35. View Article Online DOI: 10.1039/C7NJ05138Gbond orbital (NBO) analysis. Finally, we study the function of Clomesone on biofilmformation and the study on a methansulfonate complex with respect to QS activity.