Single Crystal and Powder Diffraction Characterization of Three Polymorphic Forms of Acitretin

Crystal chemistry of sibutramine: Thermal, diffractometric and spectroscopic characterization

“…Finally, we have further demonstrated the power of state‐of‐the‐art powder diffraction methods, which, even from conventional laboratory data,24–26 can afford significant (though partially blurred, but otherwise inaccessible ) structural information of moderately complexes molecular species. The obtained results are of even higher relevance if a number of strictly related, and chemically accessible, phases (and not only fortunate benchmark cases) are coherently studied by a combination of different solid‐state characterization techniques (diffraction, nuclear magnetic resonance, thermogravimetric and differential scanning calorimetric analyses), as if they were acting as lenses toward a more accurate understanding 27…”

Identification, Preparation, and Characterization of Several Polymorphs and Solvates of Terazosin Hydrochloride

“…Atomic charges were fitted to the electrostatic potential calculated by the MOPAC program with the MNDO approximation. The DBWS program was used for Rietveld refinement of the simulated structures against experimental powder diffraction data 26,27…”

“…This study presents the spectral characterization of each of these stable forms, methods of preparation, and determination of relative stabilities. Structural information on several forms was obtained by using a combination of single crystal X‐ray data and molecular modeling software 24–35…”

Polymorphism of monotropic forms: relationships between thermochemical and structural characteristics

“…9(b) Andersen et al, 1989) N conf = 86, ÁD cal = 0.8%; N-acylhydrazone (unstable form refcode ELOKEX; stable form refcode ELOKAT; Mazur et al, 2016) N conf = 112, ÁD cal = 1.4%. In the case of group II, the following trends for the selected pairs of polymorphs can be highlighted: 4-methyl-2-nitroacetanilide (unstable form refcode MNIAAN01; stable form refcode MNIAAN10; Moore et al, 1983) N conf = 13, ÁD cal = À5.6%; diflunisal (unstable form refcode FAFWIS02; Cross et al, 2003; stable form refcode FAFWIS; Yang Bae Kim & Il Yeong Park, 1996) N conf = 16, ÁD cal = À17.1%; acitretin (unstable form refcode NAZLAC02; stable form refcode NAZLAC01; Malpezzi et al, 2005) N conf = 90, ÁD cal = À0.9%; spiperone (unstable form refcode FBPAZD05; stable form refcode FBPAZD06; Robert et al, 2016 ) N conf = 200, ÁD cal = À2.9%. Similar trends are also envisaged for HB0 and HB2 systems; however, they are not so evident due to the small number of points [Figs.…”