Sulfathiazole polymorph thermodynamics

DOI

Polymorphism is a major problem in the pharmaceutical industry and also a conceptual bottleneck in the conversion of useful molecular properties into useful materials properties. Sulfathiazole is a pharmaceutical that has 5 known polymorphic form with differing stability and density. This project will use density gradient methods to prepare the polymorphic forms of sulfathiazole in sufficient quantity to permit INS spectroscopy. The resulting spectra will be compared to predicted spectra for four of the polymorphic forms. These computed spectra are quite distinct for the four forms revealing the differing hydrogen bonding pattern of each structure. Once the comparison of the computations with experiment has been made, it will be possible to predict the influence of deuteration on polymorphic forms.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24079965
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24079965
Provenance
Creator Dr Devashi Adroja; Professor Bruce Hudson
Publisher ISIS Neutron and Muon Source
Publication Year 2013
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2010-08-07T19:51:37Z
Temporal Coverage End 2010-08-10T05:05:34Z