Details

Autor(en) / Beteiligte

• Kafuta, Kevin
• Golz, Christopher
• Alcarazo, Manuel

Titel

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

Ist Teil von

• Acta crystallographica. Section E, Crystallographic communications, 2020-07, Vol.76 (7), p.1126-1130

Ort / Verlag

International Union of Crystallography

Erscheinungsjahr

2020

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The polymorphism of the title compound, C 15 H 8 N 2 S 5 , 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.