Formation of ibrutinib solvates: so similar, yet so different

0571611 - FZÚ 2024 RIV GB eng J - Journal Article
Jirát, J. - Rohlíček, Jan - Kaminský, Jakub - Jirkal, T. - Ridvan, L. - Skořepová, Eliška - Zvoníček, V. - Dušek, Michal - Šoós, M.
Formation of ibrutinib solvates: so similar, yet so different.
IUCrJ. Roč. 10, č. 2 (2023), s. 210-219. ISSN 2052-2525. E-ISSN 2052-2525
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:68378271 ; RVO:61388963
Keywords : ibrutinib * multicomponent crystal solvates * transformation mechanisms
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Physical chemistry (UOCHB-X)
Impact factor: 3.9, year: 2022
Method of publishing: Open access

The transformation processes of non-solvated ibrutinib into a series of halogenated benzene solvates are explored in detail here. The transformation was studied in real time by X-ray powder diffraction in a glass capillary. Crystal structures of chlorobenzene, bromobenzene and iodobenzene solvates are isostructural, whereas the structure of fluorobenzene solvate is different. Four different mechanisms for transformation were discovered despite the similarity in the chemical nature of the solvents and crystal structures of the solvates formed.
Permanent Link: https://hdl.handle.net/11104/0342697