Solid-state forms of darifenacin

This dataset includes: xy PXRD files, raw NMR Bruker files, DSC and TGA text files, IR data csv file, files generated in theoretical calculations (Gaussian log files, Castep output files, cif output files from Castep, data used for creating CSP plots) - their detailed description can be found in description-of-files-content.txt file.The dataset also contains a text of an accepted manuscript entitled 'Understanding the stability of amorphous form of darifenacin' and accompanying raw experimental data.The manuscript describes experimental and computational investigation into crystallization preferences of darifenacin free base. It discloses a single-crystal X-ray determination of two crystal structures of darifenacin, a hydrate and a toluene solvate, as well as solid-state NMR investigation of these forms and an amorphous form, which experimentally appeared to be very stable. The conducted CSP calculations provide an explanation of the experimental observations as to the stability of solvated and non-solvated forms. The manuscript was sent and accepted for publication in CrystEngComm journal.