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Polymorphism and surface diversity arising from stress-induced transformations – the case of multicomponent forms of carbamazepine

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dc.abstract.enStress-induced transformations of labile multicomponent organic solids may have a significant impact on industrial manufacturing processes, for example, in the pharmaceutical field. This study considers 15 carbamazepine (CBZ) multicomponent crystal forms, with the aim of identifying the structural and surface features that drive the outcome of thermal stress-induced transformations. Analysis of the crystal structures, and specifically the degree of similarity with the CBZ polymorphs produced by desolvation-like processes, identifies some degree of correlation between structural features. In particular, mutually exclusive supramolecular motifs identified previously within CBZ crystal structures are frequently (but not invariably) preserved, and thereby provide some indication of the anticipated polymorphic outcome. This is broadly consistent with established models relating reactant and product crystal phases. Some of the CBZ multicomponent materials show surface modifications indicative of the formation of a liquid intermediate phase, which provides an alternative dissolution/recrystallization mechanism and different polymorphic outcomes compared to the direct solid-solid transformation pathway. Other cases show intermediates of varying stoichiometry and instances of chemical decomposition. Hence, the product of thermal decomposition is frequently affected by the physical properties of the coformer, such as boiling point and reactivity. This can lead to a dependence on experimental conditions, especially when events such as recrystallization, chemical decomposition of the coformer, solubilization and peritectic melting occur concomitantly. This study highlights that the overall picture is complex, even within this series of closely related materials
dc.affiliationUniwersytet Warszawski
dc.contributor.authorBond, Andrew D.
dc.contributor.authorHo, Raimundo
dc.contributor.authorSchneider-Rauber, Gabriela
dc.contributor.authorJones, William
dc.contributor.authorBordawekar, Shailendra
dc.contributor.authorSheikh, Ahmad Y.
dc.contributor.authorNere, Nandkishor
dc.contributor.authorArhangelskis, Mihails
dc.date.accessioned2024-01-25T17:02:33Z
dc.date.available2024-01-25T17:02:33Z
dc.date.issued2021
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.versionFINAL_PUBLISHED
dc.description.volume77
dc.identifier.doi10.1107/S2052520620015437
dc.identifier.issn2052-5206
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/116472
dc.identifier.weblinkhttp://journals.iucr.org/b/issues/2021/01/00/rm5042/rm5042.pdf
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials
dc.relation.pages54-67
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.enCarbamazepine
dc.subject.enCocrystal
dc.subject.enCrystal engineering
dc.subject.enHydrate
dc.subject.enSolvate
dc.subject.enStress-induced transformation
dc.titlePolymorphism and surface diversity arising from stress-induced transformations – the case of multicomponent forms of carbamazepine
dc.typeJournalArticle
dspace.entity.typePublication