title: Further study of (+/-)-mefloquinium chloride solvates. Crystal structures of the hemihydrate and monohydrate of (+/-)-mefloquinium chloride, from data collected at 120 K.
abstract: The crystal structure of a monohydrate of (+/-)-mefloquinium chloride, (+/-)-[MEFHCl.(H(2)O)], has been obtained from data collected at 120 K. Further details of the crystal structure of a hemihydrate, (+/-)-[MEFHCl*(1/2)(H(2)O)], previously determined at room temperature, are also reported from data collected at 120 K. The structural data, along with X-ray powder patterns, infrared spectra (both mid and near IR ranges) and DSC data, provide definitive evidence for the two hydrates. Further attempts to completely resolve the crystal structure of a tetragonal solvated phase failed due to the considerable disorder, involving the solvates, either water or methanol, even at 120 K, however X-ray powder pattern and infrared spectral and DSC data for this phase are also reported. Comparisons of the data obtained for the hydrates in this study, with X-ray powder patterns and mid-infrared spectra of previously reported forms of (+/-)-mefloquinium chloride have highlighted erroneous assignments and allowed structural identification of previously and differently designated forms.
authors.affiliation: Fundação Oswaldo Cruz, Instituto de Tecnologia em Fármacos - Farmanguinhos, Manguinhos, 21041-250, Rio de Janeiro, RJ, Brazil.
authors.forename: Altivo
authors.initials: A
authors.lastname: Pitaluga
authors.forename: Lívia D
authors.initials: LD
authors.lastname: Prado
authors.forename: Rafael
authors.initials: R
authors.lastname: Seiceira
authors.forename: James L
authors.initials: JL
authors.lastname: Wardell
authors.forename: Solange M S V
authors.initials: SM
authors.lastname: Wardell
mesh_terms: D003460:Crystallization; D003625:Data Collection / Q000379:methods*; D015767:Mefloquine / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry*; D013696:Temperature; D014961:X-Ray Diffraction / Q000379:methods
chemical_list: D012997:Solvents; D015767:Mefloquine