《A cocrystal of L-ascorbic acid with picolinic acid: the role of O-H···O, N-H···O and C-H···O hydrogen bonds and L-ascorbic acid conformation in structure stabilization》 was written by Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.. Category: pyridine-derivatives And the article was included in Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials in 2020. The article conveys some information:
A new 1:1 cocrystal (L-Asc-Pic) of L-ascorbic acid (vitamin C) with picolinic acid was prepared as a powder and as single crystals. The crystal structure was solved and refined from single-crystal X-ray diffraction (SCXRD) data collected at 293 (2) and 100 (2) K. The samples of the L-Asc-Pic cocrystal were characterized by elemental (HCNS) anal. and titrimetric methods, TG/DTG/DSC, and IR and Raman spectroscopy. The asym. unit comprises a picolinic acid zwitterion and an L-ascorbic acid mol. The stabilization energy of intermol. interactions involving hydrogen bonds, the vibrational spectrum and the energies of the frontier MOs were calculated using the GAUSSIAN09 and the CrystalExplorer17 programs. The charge distribution on the atoms of the L-Asc-Pic cocrystal, L-ascorbic acid itself and its 12 known cocrystals (structures from Version 5.40 of the Cambridge Structural Database) were calculated by the methods of Mulliken, Voronoi and Hirshfeld charge analyses (ADF) at the bp86/TZ2P+ level of theory. The total effective charges and conformations of the L-ascorbic acid mols. in the new and previously reported cocrystals were compared with those of the two symmetry-independent mols. in the crystals of L-ascorbic acid. A correlation between mol. conformation and its effective charge is discussed. In the experiment, the researchers used many compounds, for example, Picolinic acid(cas: 98-98-6Category: pyridine-derivatives)
Picolinic acid(cas: 98-98-6) is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.Category: pyridine-derivatives