Dynamics and disorder: on the stability of pyrazinamide polymorphs
Abstract
The enantiotropic relationship between the four polymorphs of pyrazinamide is analyzed by means of accurate X-ray diffraction measurements, normal-mode refinement and periodic DFT calculations.
- Publication:
-
Acta Crystallographica Section B
- Pub Date:
- June 2022
- DOI:
- Bibcode:
- 2022AcCrB..78..416H
- Keywords:
-
- polymorphism;
- enantiotropism;
- normal-mode refinement;
- periodic density functional theory;
- quantum crystallography