Thumbnail Image
Publication

Structural studies of organic crystals of pharmaceutical relevance. Correlation of crystal structure analysis with recognised non-bonded structural motifs in the organic solid state

Essandoh, Ernest
Publication Date
2010-10-07T11:36:24Z
End of Embargo
Supervisor
Scowen, Ian J.
Edwards, Howell G.M.
Keywords
Single crystal structure, ; Structural motifs, ; Pharmaceutical solids, ; Polymorph, ; Physico-chemical stability, ; Chalcones, ; Cryptolepines, ; Biguanides, ; Xanthines, ; Crystallization studies
Rights
Creative Commons License
The University of Bradford theses are licenced under a Creative Commons Licence.
Peer-Reviewed
Open Access status
Accepted for publication
Institution
University of Bradford
Department
School of Pharmacy
Awarded
2009
Embargo end date
Collections
Theses
Show all metadata
Files
Thumbnail Image
Thesis-Abstract,table of contents.pdf
Adobe PDF, 338.24 KB
Thumbnail Image
Thesis introduction-chapter one.pdf
Adobe PDF, 483.81 KB
Thumbnail Image
Thesis-experimental-chapter 2.pdf
Adobe PDF, 197.59 KB
Thumbnail Image
Chalcones-chapter 3.pdf
Adobe PDF, 1.15 MB
Thumbnail Image
cryptolepines -chapter 4.pdf
Adobe PDF, 1.11 MB
Additional title
Abstract
Pharmaceutical solids tend to exist in different physical forms termed as polymorphs. Issues about pharmaceutical systems are mainly concerned with the active ingredient's physico-chemical stability and bioavailability. The main aim of this study is to investigate the non-bonded interactions in pharmaceutical solids that govern the physical pharmaceutics performance of such materials and through the use of structural techniques and correlation of these results with crystal structural database to establish the presence of physical motifs in selected systems. Structural motifs were identified by the use of single crystal and crystal packing analysis on diverse range of pharma-relevant materials including chalcones, cryptolepines, biguanides and xanthines. These selected systems were validated using functional group and molecular analysis and correlating them to the Cambridge Structural Database. Crystallization studies are done on these selected systems as well as exploiting those using synthetic analogues. A total of 51 crystal structures were investigated including 16 new structure determinations. Addition synthesis of new xanthines to investigate novel intermolecular patterns was also undertaken. The understanding and exploitation of intermolecular interactions involving hydrogen bonds and coordination complexation during packing can be used in the design and synthesis of solid state molecular structures with desired physical and chemical properties.
URI
http://hdl.handle.net/10454/4444
Version
Citation
Link to publisher’s version
Link to published version
Link to Version of Record
Type
Thesis
Qualification name
PhD
Notes