20.500.12556/RUL-160148 Vpliv halogenskih vezi na kristalno arhitekturo v kokristalih in soleh diatrizoične kisline Effect of halogen bonds on crystal architecture in cocrystals and salts of diatrizoic acid V diplomskem delu sem se ukvarjala s pripravo kokristalov oziroma soli diatrizoične kisline z 2-cianopiridinom, 3-cianopiridinom in 4-cianopiridinom v različnih množinskih razmerjih med komponentama ter z uporabo različnih topil. Nastale produkte sem analizirala z rentgensko praškovno difrakcijo (PXRD) in rentgensko strukturno analizo na monokristalu (SC XRD) ter preučevala prisotnost halogenskih in vodikovih vezi ter njihov vpliv na kristalno strukturo kristala. Pri kokristalizaciji Hdtz s 4-cianopiridinom v topilu DMF je nastal solvat Hdtz∙2DMF, pri kokristalizaciji s 3-cianopiridinom je nastala sol (Me₂NH₂)⁺dtz⁻∙1,5H₂O. Difraktogrami vseh ostalih vzorcev so se ujemali s praškovnim posnetkom izhodne spojine Hdtz in s simuliranimi difraktogrami že znanih struktur Hdtz∙H₂O in Hdtz∙2H₂O. In my bachelor’s thesis I dealt with the preparation of cocrystals or salts of diatrizoic acid with 2-cyanopyridine, 3-cyanopyridine and 4-cyanopyridine in different mole ratios between the components and using different solvents. I analyzed the resulting products using powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction (SC XRD) and studied the presence of halogen and hydrogen bonds and their influence on the crystal structure of the crystal. In cocrystallization of Hdtz with 4-cyanopyridine in DMF solvent, the solvate Hdtz∙2DMF was formed, and in cocrystallization with 3-cyanopyridine, the salt (Me₂NH₂)⁺dtz⁻∙1,5H₂O was formed. The diffractograms of all other samples matched the powder image of the starting compound Hdtz and the simulated diffractograms of the known structures Hdtz∙H₂O and Hdtz∙2H₂O. halogenska vez diatrizoična kislina kokristali rentgenska strukturna analiza na monokristalu rentgenska praškovna difrakcija halogen bond diatrizoic acid cocrystals single-crystal X-ray diffraction powder X-ray diffraction true false false Slovenski jezik Angleški jezik Diplomsko delo/naloga 2024-08-22 08:55:00 2024-08-22 08:55:02 2024-08-29 11:27:47 0000-00-00 00:00:00 2024 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 24151 205734915 Vitez_Urska_-_Vpliv_halogenskih_vezi_na_kristalno_arhitekturo_v_kokristalih_in_soleh_diatrizoicn.pdf Vitez_Urska_-_Vpliv_halogenskih_vezi_na_kristalno_arhitekturo_v_kokristalih_in_soleh_diatrizoicn.pdf 1 B8D1FD619E6FBF259A1604FEA2C5D968 b207fca576dea204671ee91723eaaed64aa2ea878f1228e12acc81c860c5960a 3d76e7fc-6053-11ef-8f74-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=188640 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0