2-Methoxy-4-methyl-1-[1-(phenylsulfonyl)propan-2-yl]benzene

The title molecule, C17H20O3S, displays a U-shaped structure; the two benzene rings are nearly parallel and partially overlapped to each other, the dihedral angle and centroid-to-centroid distance being 15.0 (2)° and 3.723 (2) Å. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the molecules, forming supramolecular chains running along the a axis.

The title molecule, C 17 H 20 O 3 S, displays a U-shaped structure; the two benzene rings are nearly parallel and partially overlapped to each other, the dihedral angle and centroidto-centroid distance being 15.0 (2) and 3.723 (2) Å . In the crystal, weak intermolecular C-HÁ Á ÁO hydrogen bonds link the molecules, forming supramolecular chains running along the a axis.
are reported here.
There are two benzene rings in the title compound and they exhibit face-to-face conformation. The dihedral angle between the two benzene rings is 12.0 (2)°. The molecules of I are crystalized in P2 1 /c space group which is different from that of 2-phenyl-1-(p-toluenesulfonyl)propan-2-ol (Pbca, Xi et al., 2004). In the crystal structure there is an intermolecular C-H···O hydrogen-bonding interaction (Table 1), which is helpful to the stabilization of the packing.

Experimental
A mixture of 1-(1-bromopropan-2-yl)-4-methylbenzene (1.0 g, 4.7 mmol) and sodium benzenesulfinate (0.83 g, 5.6 mmol) in dry DMF (20 mL) was stirred over night at 80°C. When the reaction was completed, 50 mL water was added to the mixture and was extracted with ethyl acetate. The ethyl acetate layer was washed by 50 mL water, then 15 mL saturated sodium chloride and over anhydrous sodium sulfate and was separated on silica gel column chromatography with a gradient of petroleum ether and ethyl acetate as eluent to yield 1.3 g the title compound. The compound was then dissolved in ethyl acetate, and colorless crystals were formed on slow evaporation at room temperature over one week.

Refinement
All H atoms were placed in geometrically calculated positions and refined using a riding model with C-H = 0.93 Å and N-H = 0.86 Å and with U iso (H) = 1.2U eq (C, N). Fig. 1. The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.