An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy
Alexander J. Stirk, Sean T. Holmes, Fabio E. S. Souza, Ivan Hung, Zhehong Gan, James F. Britten, Allan W. Rey, Robert W. Schurko
Abstract
H D-RINEPT spectrum confirms the spatial proximities between the chloride ions, water molecules, and amine moieties. This all suggests future application of multinuclear SSNMR at high and ultra-high fields to the study of complex API solid forms for which SCXRD data are unavailable, with potential application to heterogeneous mixtures or amorphous solid dispersions.
Topics & Concepts
CocrystalCrystallographySingle crystalIonic bondingCharacterization (materials science)DiffractionMaterials scienceNuclear magnetic resonance spectroscopyX-raySpectroscopyHydrochlorideChemistryMoleculeStereochemistryNanotechnologyIonHydrogen bondOrganic chemistryPhysicsOpticsQuantum mechanicsAdvanced NMR Techniques and ApplicationsCrystal structures of chemical compoundsIonic liquids properties and applications