Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction
Carl H. Fleischer, Sean T. Holmes, Kirill Levin, Stanislav L. Veinberg, Robert W. Schurko
Abstract
Cl SSNMR data as experimental input. This proof-of-concept work suggests the possibility of employing QNMRX-CSP to solve the structures of organic HCl salts in dosage forms - something which is often beyond the capabilities of conventional, diffraction-based characterization methods.
Topics & Concepts
Crystal structurePseudoephedrineChemistryNuclideCrystallographyCrystal (programming language)Solid-state nuclear magnetic resonanceSolid-stateMaterials scienceEphedrinePhysical chemistryNuclear magnetic resonancePhysicsComputer scienceNeuroscienceProgramming languageBiologyQuantum mechanicsAdvanced NMR Techniques and ApplicationsNMR spectroscopy and applicationsMolecular spectroscopy and chirality