Show simple item record

dc.contributor.authorVangala, Venu R.
dc.contributor.authorChow, P.S.
dc.contributor.authorSchreyer, M.
dc.contributor.authorLau, G.
dc.contributor.authorTan, R.B.H.
dc.date.accessioned2016-01-08T09:56:56Z
dc.date.available2016-01-08T09:56:56Z
dc.date.issued2015-12-23
dc.identifier.citationVangala VR, Chow PS, Schreyer M, Lau G and Tan RBH (2016) Thermal and in situ x-ray diffraction analysis of a dimorphic co-crystal 1:1 caffeine-glutaric acid. Crystal Grown and Design. 16(2): 578-586.en_US
dc.identifier.urihttp://hdl.handle.net/10454/7646
dc.descriptionYesen_US
dc.description.abstractSpurred by the enormous interest in co-crystals from the pharmaceutical industry, many novel co-crystals of active pharmaceutical ingredients have been discovered in recent years and this has in turn led to an increasing number of reports on polymorphs of co-crystals. Hence, a thorough characterization and understanding of co-crystal polymorphs is a valuable step during drug development. The purpose of this study is to perform in situ structural analysis and to determine thermodynamic stability of a dimorphic co-crystal system, 1:1 caffeine-glutaric acid (CA-GA, Forms I and II). We performed thermal and structural characterizations by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), hot-stage microscopy (HSM), slurry and in situ variable temperature X-ray diffraction (VTXRD). For completeness, we have also re-determined crystal structures of CA-GA Forms I and II at 180 K using single crystal X-ray diffraction. Our results revealed that Form II is stable and Form I is metastable at ambient conditions. Further, the results suggest that the dimorphs are enantiotropically related and the transition temperature is estimated to be 79 Celcius degrees.en_US
dc.description.sponsorshipThis work was supported by Science and Engineering Research Council of A*STAR (Agency for Science, Technology and Research), Singapore.en_US
dc.language.isoenen_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1021/acs.cgd.5b00798en_US
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Grown and Design, copyright © American Chemical Society after peer-review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/acs.cgd.5b00798.en_US
dc.subjectX-ray diffraction analysis; Dimorphic co-crystal; Caffeine-glutaric acid; polymorphs; drug development; structural analysisen_US
dc.titleThermal and in situ x-ray diffraction analysis of a dimorphic co-crystal 1:1 caffeine-glutaric aciden_US
dc.status.refereedYesen_US
dc.typeArticleen_US
dc.type.versionAccepted Manuscripten_US
refterms.dateFOA2018-07-25T13:21:04Z


Item file(s)

Thumbnail
Name:
Vangala_Manuscript SI_Revised ...
Size:
2.777Mb
Format:
PDF

This item appears in the following Collection(s)

Show simple item record