Anharmonic Motion in the Crystal Structure of 2-Mercaptopyridone

With the present study, we revise earlier results about title compound 2-mercaptopyridone in which deformation density was determined from an X–N study 1982 (X-ray, neutron diffraction). In current X–X X-ray), anharmonic motion parameters for atoms were included and it resulted a very clean map without unexplainable features of literature results. The presence effects is supported by thermal expansion temperature range 100–260 K. A topological electron confirms bond length alternation six-membered ring. calculation electrostatic potential indicates that N–H⋯S hydrogen interaction, other attractive intermolecular contacts are probably dispersive.