dc.contributor.advisor	Barbour, Leonard J.	en_ZA
dc.contributor.author	Loots, Leigh-Anne	en_ZA
dc.contributor.other	University of Stellenbosch. Faculty of Science. Dept. of Chemistry and Polymer Science.
dc.date.accessioned	2009-03-03T10:51:18Z	en_ZA
dc.date.accessioned	2010-08-13T13:11:52Z
dc.date.available	2009-03-03T10:51:18Z	en_ZA
dc.date.available	2010-08-13T13:11:52Z
dc.date.issued	2009-03	en_ZA
dc.description	Thesis (MSc (Chemistry and Polymer Science))--University of Stellenbosch, 2009.	en_ZA
dc.description.abstract	Co-crystals are excellent materials for studying intermolecular interactions in the solid-state and can be used to further our knowledge of the balance between strong and weak intermolecular interactions. The O–H∙∙∙∙∙∙Narom synthon was chosen as the focus of this investigation of hydrogen bonding motifs. The starting materials selected all have two hydrogen bond donor and/or acceptor sites for the formation of extended networks. All molecules are also aromatic such that the influence of weaker π∙∙∙∙∙∙π interactions can be included in the study. Two 3x3 grids of related co-crystals were produced from these starting materials and are reported in this thesis as part of an ongoing investigation into a broader set of co-crystals. A part of the work describes the investigation of co-crystals prepared by the combination of related benzenediol and diazine isomers taken from a 3x3 grid. The solid-state structures of each of the six starting materials are discussed briefly to describe the nature of intermolecular interactions involved in the single component crystals. Trends in hydrogen-bonding patterns as well as the weaker interactions identified in the starting materials, can be used to recognise those in the subsequent multi-component crystals. Thirteen co-crystal compounds were obtained, of which twelve structures are novel. Each of these co-crystal structures is discussed in terms of intermolecular interactions and packing in the solid state. Hydrogen-bonding patterns and structural similarities are highlighted in related co-crystal structures as well as between co-crystals and their respective starting materials. The combination of benzenediol isomers with benzodiazine isomers yielded seven novel co-crystal structures in a second 33 grid is reported. The structure of phthalazine, which has not yet been reported, is included in addition to these co-crystals, while the structures of quinazoline and quinoxaline that were retrieved from the CSD are discussed briefly. Co-crystal structures are discussed individually, focusing on the intermolecular interactions that are significant to the structural architecture of the compound. Certain co-crystals that display structural similarities with structures of the 3x3 grid, as well as with co-crystals presented in Chapter 3, are discussed in the relevant sections. Lastly, two extended pyridyl diyne ligands that were synthesised for use in future co-crystallisation studies similar to those reported earlier are briefly highlighted. The crystal structures of the pure compounds and of a hydrate of one of the ligands were obtained and discussed briefly. To date only one of these structures has been reported in the literature.	en_ZA
dc.identifier.uri	http://hdl.handle.net/10019.1/4052
dc.language.iso	en	en_ZA
dc.publisher	Stellenbosch : University of Stellenbosch
dc.rights.holder	University of Stellenbosch
dc.subject	Crystallization	en_ZA
dc.subject	Hydrogen bonding	en_ZA
dc.subject	Intermolecular forces	en_ZA
dc.subject	Crystal engineering	en_ZA
dc.subject	Dissertations -- Chemistry	en_ZA
dc.subject	Theses -- Chemistry	en_ZA
dc.subject.other	Chemistry and Polymer Science	en_ZA
dc.title	Investigation of the co-crystallisation of N-heterocycles	en_ZA
dc.type	Thesis	en_ZA

Investigation of the co-crystallisation of N-heterocycles

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