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Unraveling a unique metastable phase of a proxyphylline cocrystal exclusively produced by compressed carbon dioxide

dc.rights.licenseopenen_US
hal.structure.identifierChimie et Biologie des Membranes et des Nanoobjets [CBMN]
dc.contributor.authorERCICEK, Fatma
dc.contributor.authorMARCHIVIE, Mathieu
hal.structure.identifierSANOFI Recherche
dc.contributor.authorNIMOD, Lea
dc.contributor.authorCERCEL, Hugo
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorBRANDEL, Clement
dc.contributor.authorZIRI, Isabelle
dc.contributor.authorCARTIGNY, Yohann
dc.contributor.authorMONNIER, Olivier
dc.contributor.authorMARRE, Samuel
hal.structure.identifierChimie et Biologie des Membranes et des Nanoobjets [CBMN]
dc.contributor.authorSUBRA-PATERNAULT, Pascale
hal.structure.identifierChimie et Biologie des Membranes et des Nanoobjets [CBMN]
dc.contributor.authorHARSCOAT-SCHIAVO, Christelle
dc.date.accessioned2025-05-14T11:44:38Z
dc.date.available2025-05-14T11:44:38Z
dc.date.issued2024-05-13
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/206622
dc.description.abstractEnIn this work, racemic proxyphylline ((±)-PXL, a chiral drug) was cocrystallized for the first time with 4-hydroxybenzoic acid (4-HBA) from three solvents (acetone, ethyl acetate, and isobutanol) and using CO2 as an antisolvent. The obtained solid forms were compared to those produced by liquid-assisted grinding (LAG). It is shown that though both methods produce a racemic compound (±)-PXL1:4-HBA1 cocrystal, LAG promotes the crystallization of an orthorhombic Pna21 form (Phase I), whereas CO2-assisted crystallization gives rise to an original monoclinic C2/c form with partial inclusion of CO2 and water molecules (Phase II). The structure of Phase II originates from this inclusion since this phase is never obtained in the absence of CO2. Concomitant cocrystallization of Phase I and Phase II occurs during CO2-assisted crystallization in proportions that vary with solvents and temperature. Our study shows that Phase II transforms progressively into Phase I upon storage or heating.
dc.description.sponsorshipApport du CO2 dans le contrôle de phase cristalline - ANR-18-CE07-0047en_US
dc.language.isoENen_US
dc.subject.enCrystal structure
dc.subject.enCrystallization
dc.subject.enGranular materials
dc.subject.enKetones
dc.subject.enSolvents
dc.title.enUnraveling a unique metastable phase of a proxyphylline cocrystal exclusively produced by compressed carbon dioxide
dc.typeArticle de revueen_US
dc.identifier.doi10.1021/acs.cgd.4c00279en_US
dc.subject.halChimie/Matériauxen_US
bordeaux.journalCrystal Growth & Designen_US
bordeaux.page4271-4874en_US
bordeaux.volume24en_US
bordeaux.hal.laboratoriesCBMN : Chimie & de Biologie des Membranes & des Nano-objets - UMR 5248en_US
bordeaux.issue11en_US
bordeaux.institutionUniversité de Bordeauxen_US
bordeaux.institutionBordeaux INPen_US
bordeaux.institutionCNRSen_US
bordeaux.peerReviewedouien_US
bordeaux.inpressnonen_US
hal.popularnonen_US
hal.audienceInternationaleen_US
hal.exportfalse
dc.rights.ccPas de Licence CCen_US
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Crystal%20Growth%20&%20Design&rft.date=2024-05-13&rft.volume=24&rft.issue=11&rft.spage=4271-4874&rft.epage=4271-4874&rft.au=ERCICEK,%20Fatma&MARCHIVIE,%20Mathieu&NIMOD,%20Lea&CERCEL,%20Hugo&BRANDEL,%20Clement&rft.genre=article


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