{"id":{"repo_id":"birmingham","oai_identifier":"oai:etheses.bham.ac.uk:1149"},"canonical_url":"https://search.dev.ndltd.org/etd/birmingham/oai:etheses.bham.ac.uk:1149","repository":{"repo_id":"birmingham","name":"University of Birmingham","base_url":"https://etheses.bham.ac.uk/cgi/oai2"},"display":{"title":"Co-crystallisation of α,ω-dicarboxylic acids with nicotinamide and isonicotinamide","abstract":"Pharmaceutical co-crystallisation is an alternative and potentially reliable method to manipulate physical properties of API’s via supramolecular synthesis. A number of binary co-crystals were synthesised using different solvents, different stoichiometric ratios (ratio of starting materials) and different methods of synthesis (solvent-mediated crystallisation, solvent-drop grinding and neat grinding), with a view to investigate solvent and stoichiometric effects on the materials formed. Selected α,ω-alkanedicarboxylic acids (HOOC-(CH\\(_2\\))\\(_{n-}\\)COOH) were crystallised with nicotinamide for n = 0, 1, 2, 4, 5, 6, 7 and isonicotinamide for n = 5, 6, 7 yielding 12 new solid materials. The melting point of the starting materials and new products are determined and analysed, and the new crystalline materials characterised using NMR, FTIR, powder X-ray diffraction data (PXRD) and single X-ray diffraction data (SXRD). For azelaic acid : nicotinamide (1:1), structure solution was carried out using powder X-ray diffraction data and the direct space methods are applied through differential evolution (DE) approach. The crystal structure of adipic acid : nicotinamide (1:2) was solved using single crystal X-ray diffraction. The crystal structures of both, display strong O-H….N(pyridine), O-H\\(^{….}\\)O=C and N-H\\(^{….}\\)O=C intermolecular bonds. Other new materials formed were oxalic acid:nicotinamide (1:1 and 1:2), malonic acid : nicotinamide (1:1 and 1:2), succinic acid : nicotinamide (1:1), pimelic acid : nicotinamide (1:1), suberic acid : nicotinamide (1:1), azelaic acid : nicotinamide (1:1), pimelic acid : isonicotinamide (1:1), suberic acid : isonicotinamide (1:1 and 1:2) and azelaic acid : isonicotinamide (1:1), but these were not fully characterised by X-diffraction.","abstract_html":"Pharmaceutical co-crystallisation is an alternative and potentially reliable method to manipulate physical properties of API’s via supramolecular synthesis. A number of binary co-crystals were synthesised using different solvents, different stoichiometric ratios (ratio of starting materials) and different methods of synthesis (solvent-mediated crystallisation, solvent-drop grinding and neat grinding), with a view to investigate solvent and stoichiometric effects on the materials formed. Selected α,ω-alkanedicarboxylic acids (HOOC-(CH<span class=\"etd-inline-math\"><sub>2</sub></span>)<span class=\"etd-inline-math\"><sub>n-</sub></span>COOH) were crystallised with nicotinamide for n = 0, 1, 2, 4, 5, 6, 7 and isonicotinamide for n = 5, 6, 7 yielding 12 new solid materials. The melting point of the starting materials and new products are determined and analysed, and the new crystalline materials characterised using NMR, FTIR, powder X-ray diffraction data (PXRD) and single X-ray diffraction data (SXRD). For azelaic acid : nicotinamide (1:1), structure solution was carried out using powder X-ray diffraction data and the direct space methods are applied through differential evolution (DE) approach. The crystal structure of adipic acid : nicotinamide (1:2) was solved using single crystal X-ray diffraction. The crystal structures of both, display strong O-H….N(pyridine), O-H<span class=\"etd-inline-math\"><sup>….</sup></span>O=C and N-H<span class=\"etd-inline-math\"><sup>….</sup></span>O=C intermolecular bonds. Other new materials formed were oxalic acid:nicotinamide (1:1 and 1:2), malonic acid : nicotinamide (1:1 and 1:2), succinic acid : nicotinamide (1:1), pimelic acid : nicotinamide (1:1), suberic acid : nicotinamide (1:1), azelaic acid : nicotinamide (1:1), pimelic acid : isonicotinamide (1:1), suberic acid : isonicotinamide (1:1 and 1:2) and azelaic acid : isonicotinamide (1:1), but these were not fully characterised by X-diffraction.","abstract_has_math":true,"creators":["Voguri, Raja Sekhar"],"institution":"University of Birmingham","degree_name":"m_rs","degree_level":"m_rs","degree_discipline":null,"degree_department":null,"school":null,"contributors":[],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2010,"date_issued":"2010-12","date_published":"2010-12","updated_at":"2026-07-24T01:11:23Z","subjects":["QD Chemistry"],"languages":[],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":null,"outbound_label":null,"outbound_source":null},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.sponsor","label":"Sponsor","values":["na"]},{"key":"dc:creator","label":"Author","values":["Voguri, Raja Sekhar"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2010-12"]},{"key":"dc:date.issued","label":"Date","values":["2010-12"]},{"key":"dc:publisher.department","label":"Dc Publisher Department","values":["College of Engineering & Physical Sciences","School of Chemistry"]},{"key":"dc:publisher.institution","label":"Dc Publisher Institution","values":["University of Birmingham"]},{"key":"dc:relation.isreferencedby","label":"Dc Relation Isreferencedby","values":["http://etheses.bham.ac.uk//id/eprint/1149/"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"dc:type.qualificationlevel","label":"Dc Type Qualificationlevel","values":["m_rs"]},{"key":"dc:type.qualificationname","label":"Dc Type Qualificationname","values":["m_rs"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["QD Chemistry"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://etheses.bham.ac.uk//id/eprint/1149/2/Decl_IS_Voguri10MRes.pdf","http://etheses.bham.ac.uk//id/eprint/1149/1/Voguri10MRes.pdf"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["Pharmaceutical co-crystallisation is an alternative and potentially reliable method to manipulate physical properties of API’s via supramolecular synthesis. A number of binary co-crystals were synthesised using different solvents, different stoichiometric ratios (ratio of starting materials) and different methods of synthesis (solvent-mediated crystallisation, solvent-drop grinding and neat grinding), with a view to investigate solvent and stoichiometric effects on the materials formed. Selected α,ω-alkanedicarboxylic acids (HOOC-(CH\\(_2\\))\\(_{n-}\\)COOH) were crystallised with nicotinamide for n = 0, 1, 2, 4, 5, 6, 7 and isonicotinamide for n = 5, 6, 7 yielding 12 new solid materials. The melting point of the starting materials and new products are determined and analysed, and the new crystalline materials characterised using NMR, FTIR, powder X-ray diffraction data (PXRD) and single X-ray diffraction data (SXRD). For azelaic acid : nicotinamide (1:1), structure solution was carried out using powder X-ray diffraction data and the direct space methods are applied through differential evolution (DE) approach. The crystal structure of adipic acid : nicotinamide (1:2) was solved using single crystal X-ray diffraction. The crystal structures of both, display strong O-H….N(pyridine), O-H\\(^{….}\\)O=C and N-H\\(^{….}\\)O=C intermolecular bonds. Other new materials formed were oxalic acid:nicotinamide (1:1 and 1:2), malonic acid : nicotinamide (1:1 and 1:2), succinic acid : nicotinamide (1:1), pimelic acid : nicotinamide (1:1), suberic acid : nicotinamide (1:1), azelaic acid : nicotinamide (1:1), pimelic acid : isonicotinamide (1:1), suberic acid : isonicotinamide (1:1 and 1:2) and azelaic acid : isonicotinamide (1:1), but these were not fully characterised by X-diffraction."]},{"key":"dc:format","label":"Dc Format","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Co-crystallisation of α,ω-dicarboxylic acids with nicotinamide and isonicotinamide"]}]}],"canonical_facts":{"dc:contributor.sponsor":["na"],"dc:creator":["Voguri, Raja Sekhar"],"dc:date":["2010-12"],"dc:date.issued":["2010-12"],"dc:description.abstract":["Pharmaceutical co-crystallisation is an alternative and potentially reliable method to manipulate physical properties of API’s via supramolecular synthesis. A number of binary co-crystals were synthesised using different solvents, different stoichiometric ratios (ratio of starting materials) and different methods of synthesis (solvent-mediated crystallisation, solvent-drop grinding and neat grinding), with a view to investigate solvent and stoichiometric effects on the materials formed. Selected α,ω-alkanedicarboxylic acids (HOOC-(CH\\(_2\\))\\(_{n-}\\)COOH) were crystallised with nicotinamide for n = 0, 1, 2, 4, 5, 6, 7 and isonicotinamide for n = 5, 6, 7 yielding 12 new solid materials. The melting point of the starting materials and new products are determined and analysed, and the new crystalline materials characterised using NMR, FTIR, powder X-ray diffraction data (PXRD) and single X-ray diffraction data (SXRD). For azelaic acid : nicotinamide (1:1), structure solution was carried out using powder X-ray diffraction data and the direct space methods are applied through differential evolution (DE) approach. The crystal structure of adipic acid : nicotinamide (1:2) was solved using single crystal X-ray diffraction. The crystal structures of both, display strong O-H….N(pyridine), O-H\\(^{….}\\)O=C and N-H\\(^{….}\\)O=C intermolecular bonds. Other new materials formed were oxalic acid:nicotinamide (1:1 and 1:2), malonic acid : nicotinamide (1:1 and 1:2), succinic acid : nicotinamide (1:1), pimelic acid : nicotinamide (1:1), suberic acid : nicotinamide (1:1), azelaic acid : nicotinamide (1:1), pimelic acid : isonicotinamide (1:1), suberic acid : isonicotinamide (1:1 and 1:2) and azelaic acid : isonicotinamide (1:1), but these were not fully characterised by X-diffraction."],"dc:format":["application/pdf"],"dc:identifier.uri":["http://etheses.bham.ac.uk//id/eprint/1149/2/Decl_IS_Voguri10MRes.pdf","http://etheses.bham.ac.uk//id/eprint/1149/1/Voguri10MRes.pdf"],"dc:publisher.department":["College of Engineering & Physical Sciences","School of Chemistry"],"dc:publisher.institution":["University of Birmingham"],"dc:relation.isreferencedby":["http://etheses.bham.ac.uk//id/eprint/1149/"],"dc:subject":["QD Chemistry"],"dc:title":["Co-crystallisation of α,ω-dicarboxylic acids with nicotinamide and isonicotinamide"],"dc:type":["Thesis"],"dc:type.qualificationlevel":["m_rs"],"dc:type.qualificationname":["m_rs"]},"updated_at":"2026-07-24T01:11:23Z"}