Collect. Czech. Chem. Commun. 1996, 61, 733-741

Conformation of Methylsulfonyl Group: A Comparison of the Data for 2-Chlorophenyl Methyl Sulfone in Solution and in Crystal

Václav Všetečka, Ivana Císařová and Jaroslav Podlaha

Department of Chemistry, Charles University, 128 40 Prague 2, Czech Republic


The conformation of methylsulfonyl group attached to 2-substituted benzene ring was studied in the crystal and in solution. X-Ray crystal structure determination of the title compound demonstrates single conformation with the dihedral angle of 66.9(2)° between the planes defined by the aromatic ring and by the pivot atom of the ring, sulfur and the methyl carbon. In solution, dipole moment measurement leads to the conclusion that the compound also adopts a similar single conformation with slightly different dihedral angle of 53(5)°.

Keywords: Methylsulfonyl group, conformation; X-Ray crystal structure.