Crystal structure of phenylbenzylsulfone, (C6H5)(C7H7)SO2

C13H12O2S, orthorhombic, Pna2\ (no. 33), a = 16.5888(6) A, b = 12.2537(5) A, c = 5.6054(2) A, V = 1139.4 A, Ζ = 4, Rgt(F) = 0.059, wRnffF) = 0.128, T= 298 K. Discussion The utilization of sulfones in organic synthesis has become a classic strategy in the preparation of the most demanding and sophisticated complex molecules. From the methodological point of view, sulfones have been employed in the preparation and functionalization of a wide variety of products [1], In the study the sulfone synthesis, our group tried some unconventional methods. The synthesis of the title compound is an example of microwave-assisted synthesis [2,3] without use of solvent [4,5]. In the molecule (figure, top) the phenyl and benzyl groups are located on the right and left side of the sulfone, resembling two outstretched hands. The seven atoms C1, C2, C3, C4, C5, C6 and SI, along with the other seven atoms C7, C8, C9, C10, CI 1, C12 and C13 are essentially coplanar, with average deviations of 0.0153 A and 0.0119 A, respectively. The dihedral angle of the two above planes is 45.0(1)°. The S = 0 bond distances [1.436(3) A and 1.437(3) A] are comparable with those found for ethyl phenylsulfonylacetate [6]. There is one intramolecular hydrogen bond (Cl-Hl-Ol) , with an H-O distance of 2.54 A. Moreover, a pair of molecules is linked by the intermolecular C7-H7-Ol (-x-y, -Vi+z) bond with an H-O distance of 2.56 A to form a dimer like a butterfly (figure, bottom). Table 1. Data collection and handling. Crystal: colorless block, size 0.20 χ 0.21 χ 0.39 mm Wavelength: Mo Ka radiation (0.71073 A) μ· 2.65 cm Diffractometer, scan mode: Broker SMART APEX CCD, 600 frames. Δω = 0.3°