In the title compound, C16H15NO2S [alternative name: rac-2,3-diphenyl-1,3-thiazinan-4-one 1-oxide], the thiazine ring exhibits an envelope conformation, with the S atom forming the flap. The sulfoxide O atom is in a pseudo-axial position on the thiazine ring and is trans to the phenyl group on C-2. The phenyl rings form a dihedral angle of 89.47 (19)°. In this racemate crystal, homochiral molecules form slabs parallel to (010) of thickness b/2 which then stack with alternating chirality in the b-axis direction. The stacking is aided by edge-to-face interactions between the phenyl rings of racemic molecules. Within each of the single-enantiomer slabs, the molecules are held by C—H...O-type interactions, with an H...O distance of 2.30 Å, forming infinite chains along the c-axis direction, as well by the edge-to-face interactions between phenyl rings of neighboring molecules in the a-axis direction.
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Document Type: Research Article
Department of Biochemistry and Molecular Biology, Pennsylvania State University, University Park, PA 16802, USA
Pennsylvania State University, Schuylkill Campus, 200 University Drive, Schuylkill Haven, PA 17972, USA
January 1, 2016