• Title of article

    Polymorphism of bis­­(1,3-benzo­thia­zol-2-yl) tri­thio­carbonate

  • Author/Authors

    Kafuta, Kevin Georg-August-Universität Göttingen - Institut für Organische und Biomolekulare Chemie, Germany , Golz, Christopher Georg-August-Universität Göttingen - Institut für Organische und Biomolekulare Chemie, Germany , Alcarazo, Manuel Georg-August-Universität Göttingen - Institut für Organische und Biomolekulare Chemie, Germany

  • Pages
    12
  • From page
    1
  • To page
    12
  • Abstract
    The polymorphism of the title compound, C15H8N2S5, is reported, in which the (syn,syn) and (syn,anti) conformers simultaneously crystallized from a chloro­form solution. The complete mol­ecule of the (syn,syn) form is generated by a crystallographic twofold axis. The geometries of both conformers are compared in detail, revealing no significant differences in bond lengths, despite different bond angles because of the conformational changes. Analysis of the inter­molecular inter­actions, aided by Hirshfeld surfaces, shows distinctive S⋯S and S⋯N contacts only for the (syn,anti) conformer. Aromatic π–π-stacking inter­actions are found for both conformers, which occur for the (syn,anti) conformer between pairs of mol­ecules, but are continuous stacks in the (syn,syn) conformer. Non merohedral twinning was found for the crystal of the (syn,anti) conformer used for data collection.
  • Keywords
    crystal structure , tri­thio­carbonates , benzo­thia­zole , polymorphism , Hirshfeld surface analysis
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2020
  • Record number

    2623524