SYNTHESIS AND STRUCTURE OF AN INTRAMOLECULARLY HYDROGEN-BONDED 2-PHENYL-1-PHENYLTHIO-1-(2-TETRAHYDROPYRANYLTHIO)PROPAN-2-OL DIASTEREOMER

The title compound (C20H24S2O2) crystallizes in space group P2(1)/c (14) with cell dimensions of a=5.724(3), b=19.756(7), c=16.587(6) Angstrom, beta=96.31(3)degrees and V=1864.3(9) Angstrom(3). M(r)=360.5, F(000)=768 and mu=0.295 mm(-1). The data were collected with 3<2 Theta<53 degrees totalling 7947 reflections comprising two unique sets with the indices -8<h<8, 0<k<25 and -21<l<21. Merging of the equivalent reflections yielded 3870 unique reflections, of which 2724 were regarded as observed [(I>2 sigma(I)] with R(int)=0.031. Refinement of 289 parameters converged to the R-value of 4.17% and an wR-value of 4.09%. The molecule involves an intramolecular hydrogen bond with the O-O distance of 2.816(3) Angstrom. S-C distances for the propanol carbon are 1.837(2) and 1.829(2)Angstrom and the S-C-S angle is 113.2 degrees.