Synthesis, Structures, and Conformation Dynamics of Pyrazolotetrathiepins and Related Compounds Studied by X-ray Crystallography, Dynamic NMR, and Molecular Orbital Calculations

Article abstract of DOI:10.1021/jo00388a015

Pyrazolopentathiepins 1 react with acetone and ammonium sulfide to form pyrazolotetrathiepins 2, 3, and 4.The ketone fragment replaces one of the three inner sulfur atoms in a nearly statistical ratio.The structures of two substituted forms of 2 were asce