title: The Pressure-Induced Polymorphic Transformations in Fluconazole.
abstract: The structural properties and Raman spectra of fluconazole have been studied by means of X-ray diffraction and Raman spectroscopy at pressures up to 2.5 and 5.5 GPa, respectively. At a pressure of 0.8 GPa, a polymorphic phase transition from the initial form I to a new triclinic form VIII has been observed. At higher pressure of P = 3.2 GPa, possible transformation into another new polymorphic form IX has been detected. The unit cell parameters and volumes, and vibration modes as functions of pressure have been obtained for the different forms of fluconazole.
authors.affiliation: Frank Laboratory of Neutron Physics, JINR, Dubna, Moscow Region 141980, Russia.
authors.forename: Ekaterina A
authors.initials: EA
authors.lastname: Gorkovenko
authors.affiliation: Frank Laboratory of Neutron Physics, JINR, Dubna, Moscow Region 141980, Russia. Electronic address: ekich@nf.jinr.ru.
authors.forename: Sergey E
authors.initials: SE
authors.lastname: Kichanov
authors.affiliation: Frank Laboratory of Neutron Physics, JINR, Dubna, Moscow Region 141980, Russia.
authors.forename: Denis P
authors.initials: DP
authors.lastname: Kozlenko
authors.affiliation: Frank Laboratory of Neutron Physics, JINR, Dubna, Moscow Region 141980, Russia.
authors.forename: Alexandr V
authors.initials: AV
authors.lastname: Belushkin
authors.affiliation: Faculty of Physics, Adam Mickiewicz University, Poznań 61-614, Poland.
authors.forename: Jan
authors.initials: J
authors.lastname: Wąsicki
authors.affiliation: Faculty of Physics, Adam Mickiewicz University, Poznań 61-614, Poland.
authors.forename: Wojciech
authors.initials: W
authors.lastname: Nawrocik
authors.affiliation: NanoBioMedical Center, Adam Mickiewicz University, Poznań 61-614, Poland.
authors.forename: Jadwiga
authors.initials: J
authors.lastname: Mielcarek
authors.affiliation: Bayerisches Geoinstitute, University Bayreuth, Bayreuth D-95440, Germany.
authors.forename: Leonid S
authors.initials: LS
authors.lastname: Dubrovinsky
authors.affiliation: GFZ German Research Centre For Geosciences, Telegrafenberg, Potsdam D-14473, Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Lathe
authors.affiliation: Frank Laboratory of Neutron Physics, JINR, Dubna, Moscow Region 141980, Russia.
authors.forename: Boris N
authors.initials: BN
authors.lastname: Savenko
mesh_terms: D018360:Crystallography, X-Ray / Q000379:methods; D015725:Fluconazole / Q000737:chemistry*; D044367:Phase Transition; D011312:Pressure; D013059:Spectrum Analysis, Raman / Q000379:methods; D014961:X-Ray Diffraction / Q000379:methods
chemical_list: D015725:Fluconazole
keywords: Raman spectroscopy; X-ray powder diffractometry; crystal structure; materials science; phase transition; polymorphism