0467660 - FZÚ 2017 RIV GB eng J - Článek v odborném periodiku
Tieger, E. - Kiss, V. - Pokol, G. - Finta, Z. - Rohlíček, Jan - Skořepová, E. - Dušek, Michal
Rationalization of the formation and stability of bosutinib solvated forms.
CrystEngComm. Roč. 18, č. 48 (2016), s. 9260-9274. ISSN 1466-8033. E-ISSN 1466-8033
Grant CEP: GA MŠMT LO1603
GRANT EU: European Commission(XE) CZ.2.16/3.1.00/24510
Institucionální podpora: RVO:68378271
Klíčová slova: X-ray * pseudopolymorph * thermodynamics * diffraction * sodium * forms * solids * polymorphism * behavior * pharmaceuticals
Kód oboru RIV: CC - Organická chemie
Impakt faktor: 3.474, rok: 2016 ; AIS: 0.654, rok: 2016
DOI: https://doi.org/10.1039/c6ce01834c

The hydration/dehydration behavior of four distinct channel hydrates of sitagliptin L-tartrate (SLT) was investigated by thermoanalytical methods, dynamic vapour sorption analysis and variable humidity X-ray powder diffraction. The crystal structures were determined from single crystal and powder X-ray diffraction data. The structures are dominated by infinite sheets formed by hydrogen tartrate anions, linked by hydrogen bonds. These layers separate the parallel, infinite chains of water molecules. The water molecules stabilize the structures by providing additional hydrogen bonds between the cat ion and the anion. This interaction substantiates the high affinity of water molecules to the API framework and explains the stoichiometric characteristics observed by solid state analytical methods. On the other hand, their non-stoichiometric character is evidenced by the non-destructive dehydration processes.

Trvalý link: http://hdl.handle.net/11104/0265726