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Title: Exploring and analysing the structural diversity of organic co-crystals
Author: Yan, Yuncheng
Awarding Body: Cardiff University
Current Institution: Cardiff University
Date of Award: 2014
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Organic co-crystals are a class of promising materials in industries such as pharmaceuticals and energy industry. The work described in this thesis is the result of studying a series of organic co-crystals, which are synthesized by several different crystallization methods, and includes structures determined by single-crystal X-ray diffraction and powder X-ray diffraction. Chapter 1 is a general introduction to organic co-crystals and the phenomenon of polymorphism in organic crystalline materials. The importance of intermolecular interactions such as hydrogen bonding and π-π stacking interactions for the design of organic co-crystals are also highlighted. Chapter 2 describes the experimental techniques which have been used for studying organic co-crystals. These include co-crystallization methods and characterization methods such as single-crystal X-ray diffraction, powder X-ray diffraction, thermal analysis techniques and solid-state nuclear magnetic resonance. Chapter 3 reports two novel polymorphic co-crystal systems of trimesic acid (TMA) and tert-butylamine (TBA) with different stoichiometric ratios and analyses the crystal structures of the two polymorphic systems. Apart from the phenomenon of polymorphism of co-crystals of TMA and TBA, the structural diversity of other co-crystals of TMA and TBA are discussed in Chapter 4. In this chapter, all co-crystals of TMA and TBA are classified into four families based on the stoichiometric ratio between TMA and TBA, and the structural features of each family are investigated from the view point of hydrogen bonding with graph set notation. Chapters 5 and 6 demonstrate the processes of structure determination of co-crystals of TMA and ʟ-arginine (Chapter 5) and the co-crystal of pillar[5]quinone and 1,1,2,2-tetrachloroethane (Chapter 6) from powder X-ray diffraction data.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available
Keywords: QD Chemistry