Thermal and in situ x-ray diffraction analysis of a dimorphic co-crystal 1:1 caffeine-glutaric acid
dc.contributor.author | Vangala, Venu R. | * |
dc.contributor.author | Chow, P.S. | * |
dc.contributor.author | Schreyer, M. | * |
dc.contributor.author | Lau, G. | * |
dc.contributor.author | Tan, R.B.H. | * |
dc.date.accessioned | 2016-01-08T09:56:56Z | |
dc.date.available | 2016-01-08T09:56:56Z | |
dc.date.issued | 2015-12-23 | |
dc.identifier.citation | Vangala 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.uri | http://hdl.handle.net/10454/7646 | |
dc.description | Yes | en_US |
dc.description.abstract | Spurred 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.sponsorship | This work was supported by Science and Engineering Research Council of A*STAR (Agency for Science, Technology and Research), Singapore. | en_US |
dc.language.iso | en | en_US |
dc.rights | This 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.subject | X-ray diffraction analysis; Dimorphic co-crystal; Caffeine-glutaric acid; polymorphs; drug development; structural analysis | en_US |
dc.title | Thermal and in situ x-ray diffraction analysis of a dimorphic co-crystal 1:1 caffeine-glutaric acid | en_US |
dc.status.refereed | Yes | en_US |
dc.type | Article | en_US |
dc.type.version | Accepted Manuscript | en_US |
dc.identifier.doi | https://doi.org/10.1021/acs.cgd.5b00798 | |
refterms.dateFOA | 2018-07-25T13:21:04Z |