Crystal and molecular structure of 3-mercapto-1,3-diphenylprop-2-en-1-one by X-ray and neutron diffraction

Abstract

The crysta and molecular structure of the title compound has been solved by both X-ray and neutron diffraction methods. It has been shown to exist in the enolic form, with the enolic hydrogen atom located in a clearly asymmetric position. An alternation of short and long bond lengths about the monothio-β-diketone ring is also observed. The structure is compared with those of analogous β-diketone structures. Crystals are monoclinic, space group P2₁/c, with a= 12.549(5), b= 7.416(4), c= 13.290(5)Å, β= 98.289(12)°, Z= 4.