Crystal and molecular structure of 3-hydroxy-5-(methylsulphonyl)-4-phenylisothiazole

Abstract

The crystal and molecular structure of the title compound has been determined by X-ray crystallographic analysis from diffractometer data. Crystals are monoclinic, space group P2₁/c with a= 14.863(4), b= 5.272(1), c= 15.377(5)Å, β= 110.49(2)°, and Z= 4. The structure was solved by the heavy-atom method, and refined by full-matrix least-squares to R 0.073 for 1 160 observed terms. The isothiazole ring is planar to within ±0.009 Å, with the C–S 1.715(8), N–S 1.661(7)Å, and N–S–C 93.3(4)°.