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Issue 33, 2015
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Establishing template-induced polymorphic domains for API crystallisation: the case of carbamazepine

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Abstract

Template-induced nucleation of the model compound, Carbamazepine (CBZ), on substrates with different surface chemistries was studied. Supersolubility regions in which CBZ metastable form II or stable form III preferentially nucleated under the influence of cyano-, mercapto- and fluoro-functionalised templates were determined. Analysis of the resulting Template-induced Polymorphic Domain (TiPoD) plots indicated that cyano-functionalised templates promoted nucleation of form II and, in contrast, mercapto and fluoro surfaces favoured nucleation of form III. By comparing the interaction energies between CBZ crystal polymorphs and each template surface using molecular simulations, we propose that intermolecular interactions during the early stages of crystal nucleation selectively favours heterogeneous nucleation and growth of specific polymorphs on the functionalised surfaces. In the light of recent studies relating solvent effects to preferential nucleation of CBZ polymorphs, we further discuss the role of surface chemistry in directing the molecular-assembling process en route template-induced crystal nucleation.

Graphical abstract: Establishing template-induced polymorphic domains for API crystallisation: the case of carbamazepine

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Supplementary files

Article information


Submitted
03 Jun 2015
Accepted
17 Jul 2015
First published
22 Jul 2015

CrystEngComm, 2015,17, 6384-6392
Article type
Paper
Author version available

Establishing template-induced polymorphic domains for API crystallisation: the case of carbamazepine

J. V. Parambil, S. K. Poornachary, S. J. Hinder, R. B. H. Tan and J. Y. Y. Heng, CrystEngComm, 2015, 17, 6384
DOI: 10.1039/C5CE01080B

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