Pushing Technique Boundaries to Probe Conformational Polymorphism.
Journal
Crystal growth & design
ISSN: 1528-7483
Titre abrégé: Cryst Growth Des
Pays: United States
ID NLM: 101261892
Informations de publication
Date de publication:
04 Oct 2023
04 Oct 2023
Historique:
received:
26
05
2023
revised:
11
08
2023
medline:
9
10
2023
pubmed:
9
10
2023
entrez:
9
10
2023
Statut:
epublish
Résumé
We present an extensive exploration of the solid-form landscape of chlorpropamide (CPA) using a combined experimental-computational approach at the frontiers of both fields. We have obtained new conformational polymorphs of CPA, placing them into context with known forms using flexible-molecule crystal structure prediction. We highlight the formation of a new polymorph (ζ-CPA) via spray-drying experiments despite its notable metastability (14 kJ/mol) relative to the thermodynamic α-form, and we identify and resolve the ball-milled η-form isolated in 2019. Additionally, we employ impurity- and gel-assisted crystallization to control polymorphism and the formation of novel multicomponent forms. We, thus, demonstrate the power of this collaborative screening approach to observe, rationalize, and control the formation of new metastable forms.
Identifiants
pubmed: 37808905
doi: 10.1021/acs.cgd.3c00641
pmc: PMC10557047
doi:
Types de publication
Journal Article
Langues
eng
Pagination
7217-7230Informations de copyright
© 2023 The Authors. Published by American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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