title: [Crystal and molecular structure of the antimalarial agent alpha-(dibutylaminomethyl)-2, 7-dichloro-9-(p-chlorobenzylidene)-4- fluorenemethanol(benflumetol)].
abstract: The three-dimensional crystal and molecular structure of benflumetol(I), alpha-(dibutylaminomethyl)-2, 7-dichloro-9-(p-chlorobenzylidene)-4-fluorenemethanol, was determined by X-ray crystallography and compared with the crystal structures of the cinchona alkaloids. The aromatic rings of fluorene-phenyl system of benflumetol are twisted from each other by 52.8 degrees. The torsion angle of N-C-C-O of benflumetol is 47.6 degrees. The intramolecular aliphatic N-O distance in benflumetol is 2.709A, which is close to the N-O distance found in antimalarial cinchona alkaloids. Benflumetol contains an intramolecular hydrogen bond between the aliphatic nitrogen and oxygen atoms, no intermolecular hydrogen bond was found, which is different from the known amino alcohol antimalarials.
authors.affiliation: Institute of Microbiology and Epidemiology, Academy of Military of Medical Sciences, Beijing 100071.
authors.forename: J X
authors.initials: JX
authors.lastname: Zhong
authors.forename: R X
authors.initials: RX
authors.lastname: Deng
authors.forename: J
authors.initials: J
authors.lastname: Wang
authors.forename: Q T
authors.initials: QT
authors.lastname: Zheng
authors.forename: K F
authors.initials: KF
authors.lastname: Jiao
mesh_terms: D000962:Antimalarials / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D004983:Ethanolamines / Q000737:chemistry*; D005449:Fluorenes / Q000737:chemistry*; D000078102:Lumefantrine; D015394:Molecular Structure; D011803:Quinine / Q000737:chemistry
chemical_list: D000962:Antimalarials; D004983:Ethanolamines; D005449:Fluorenes; D011803:Quinine; D000078102:Lumefantrine