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Selective Crystallization of Pyrazinamide Polymorphs in Supramolecular Gels Synergistic Selectivity by Mimetic Gelator and Solvent [dataset] Open Access

A mimetic gelator designed to incorporate the chemical structure of pyrazinamide (PZA), a highly polymorphic drug, has been synthesized. Metastable Forms β and δ of PZA were obtained from supramolecular gel phase crystallization in nitrobenzene and DMSO, respectively, using a bis(urea) gelator designed to mimic the structure of PZA. This is the only known way to access the pure Form β at room temperature. In contrast, concomitant crystallization of a mixture of metastable polymorphs and the most thermodynamically stable form were obtained from solution crystallization. By analyzing the intermolecular interactions of PZA in the mimetic gel phase crystallization, it is proposed that the mimetic gelator and solvent can influence the nucleation behavior by close interaction with the carbonyl group to select PZA Forms β and δ.

Descriptions

Resource type

Dataset

Contributors

Creator: Steed, Jonathan ¹
Contact person: Steed, Jonathan ¹
Editor: Steed, Jonathan ¹

¹ Durham University, UK

Funder

China Scholarship Council
National Natural Science Foundation of China
Natural Science Foundation of Shanghai Municipality

Research methods

X-ray powder diffraction IR spectroscopy NMR spectroscopy

Other description

Keyword

Polymorphism
Gels
pyrazinamide
supramolecular
pharmaceutical

Subject

Chemistry

Location

Durham

Language

English

Cited in

Identifier

ark:/32150/r1df65v7911
doi:10.15128/r1df65v7911

Rights

Creative Commons Attribution 4.0 International (CC BY)

Publisher

Durham University

Date Created

2024-12-09

File Details

Depositor

J.W. Steed

Date Uploaded

9 December 2024, 16:12:10

Date Modified

10 December 2024, 10:12:45

Audit Status

Audits have not yet been run on this file.

Characterization

File format: zip (ZIP Format)

Mime type: application/zip

File size: 2684444

Last modified: 2024:12:09 16:56:48+00:00

Filename: Underlying data for Selective Crystallization of Pyrazinamide Polymorphs in Supramolecular Gels Synergistic Selectivity by Mimetic Gelator and Solvent.zip

Original checksum: 615128156169501d00c335ae349405b2