title: Conformation stability and organization of mefloquine molecules in different environments.
abstract: The crystal structures of mefloquine base, [C17H16F6N2O], and two salts of mefloquine: hydrochloride [(C17H17F6N2O)+]3[Cl-]3.3H2O and hydrochloride tetrachlorocobaltate [(C17H17F6N2O)+]3Cl-[CoCl4]2-.C2H6O.H2O, were determined by X-ray diffraction measurements. A comparison of the crystal structures of mefloquine in three different crystalline environments shows that their conformations are stable regardless of mefloquine being a base or a salt. In addition, the conformation of mefloquine is similar to those of crystalline Cinchona alkaloids. The CF3 substituents in the quinoline moiety affect the packing of molecules.
authors.affiliation: Jagiellonian University, Faculty of Chemistry, Ingardena 3, 30-060 Kraków, Poland. skorska@chemia.uj.edu.pl
authors.forename: Agnieszka
authors.initials: A
authors.lastname: Skórska
authors.forename: Jan
authors.initials: J
authors.lastname: Sliwiński
authors.forename: Barbara J
authors.initials: BJ
authors.lastname: Oleksyn
mesh_terms: D000962:Antimalarials / Q000737:chemistry*; D002930:Cinchona Alkaloids / Q000737:chemistry; D015767:Mefloquine / Q000031:analogs & derivatives* / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D013329:Structure-Activity Relationship; D014961:X-Ray Diffraction
chemical_list: D000962:Antimalarials; D002930:Cinchona Alkaloids; D015767:Mefloquine