Paroxetine and fluoxetine hexafluorosilicate salts: synthesis, crystal structure, hirshfeld surface, and supramolecular analysis.
CARVALHO JUNIOR, Paulo S.; SILVA, Cecilia C. P.; DINIZ, Luan F.; SOUZA, Matheus S.; TENORIO, Juan C.; ELLENA, Javier.
CARVALHO JUNIOR, Paulo S.; SILVA, Cecilia C. P.; DINIZ, Luan F.; SOUZA, Matheus S.; TENORIO, Juan C.; ELLENA, Javier.
 Abstract: Hexafluorosilicate salts of the antidepressant drugs Paroxetine (PRX) and Fluoxetine (FLX), [PRX]2SiF6 and [FLX]2SiF6·H2O, are investigated herein by SCXRD, Hirshfeld surface analysis, and Infrared spectroscopy. By their crystal structures, it is possible to observe, for the first time, at least at the best of our knowledge, the formation of a supramolecular architecture of the [SiF6]2- anion with protonated secondary amine groups. The [PRX]2SiF6 crystallizes in the P21 space group and the [FLX]2SiF6·H2O in the P21/c, as a hydrate racemate. While two conformers are present in the asymmetric unit of [PRX]2SiF6, two enantiomers enclose the one of [FLX]2SiF6·H2O. Analysis of the crystal packing show that NeHFeSi (1.94-2.42 Å), CeHFeSi (2.36-2.62 Å), and CeHp interactions are the main contributors toward the supramolecular architectures in these salts. | |
| Journal of Fluorine Chemistry |
| v. 209, p. 23-32 - Ano: 2018 |
| Fator de Impacto: 2,101 |
| http://dx.doi.org/10.1016/j.jfluchem.2018.02.004 |  @article={002875023,author = {CARVALHO JUNIOR, Paulo S.; SILVA, Cecilia C. P.; DINIZ, Luan F.; SOUZA, Matheus S.; TENORIO, Juan C.; ELLENA, Javier.},title={Paroxetine and fluoxetine hexafluorosilicate salts: synthesis, crystal structure, hirshfeld surface, and supramolecular analysis},journal={Journal of Fluorine Chemistry},note={v. 209, p. 23-32},year={2018}} |
