Wzgarda-Raj, Kinga; Nawrot, Martyna; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin published the artcile< Ionic cocrystals of dithiobispyridines: the role of I···I halogen bonds in the building of iodine frameworks and the stabilization of crystal structures>, Reference of 2127-03-9, the main research area is cocrystal; crystal structure; halogen bonding; hydrogen bonding; proton sponge; proton transfer; pyridine; quantum chemistry; salt; supramolecular chemistry.
It has been confirmed that mercaptopyridines undergo spontaneous condensation in redox reaction with iodine-forming dithiopyridines. In the solid state, these compounds are protonated at the N atoms and cocrystallize with iodine forming salt structures, namely, 2-[(pyridin-2-yl)disulfanyl]pyridinium triiodide sesquiiodine, C10H9N2S2+·I3-·1.5I2, and 4,4′-(disulfanediyl)dipyridinium pentaiodide triiodide, C10H10N2S22+·I5-·I3-. Dithiopyridine cations are packed among three-dimensional frameworks built from iodide anions and neutral iodine mols., and are linked by hydrogen, halogen and chalcogen interactions. Quantum chem. computations indicated that dithiopyridines exhibit anomalously high nitrogen basicity which qualify them as potential proton sponges.
Acta Crystallographica, Section C: Structural Chemistry published new progress about Cocrystallization. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Reference of 2127-03-9.