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Structural studies of various olmesartan solvates.
Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe.
Afiliação
  • Grosu IG; Molecular and Biomolecular Physics, National Institute for R&D of Isotopic and Molecular Technologies, Donat 67-103, PO 5 Box 700, 400293 Cluj-Napoca, Romania.
  • Martin F; Molecular and Biomolecular Physics, National Institute for R&D of Isotopic and Molecular Technologies, Donat 67-103, PO 5 Box 700, 400293 Cluj-Napoca, Romania.
  • Turza A; Mass Spectrometry, Chromatography and Applied Physics, National Institute for R&D of Isotopic and Molecular Technologies, Donat 67-103, PO 5 Box 700, 400293 Cluj-Napoca, Romania.
  • Miclaus M; Molecular and Biomolecular Physics, National Institute for R&D of Isotopic and Molecular Technologies, Donat 67-103, PO 5 Box 700, 400293 Cluj-Napoca, Romania.
  • Kacso I; Molecular and Biomolecular Physics, National Institute for R&D of Isotopic and Molecular Technologies, Donat 67-103, PO 5 Box 700, 400293 Cluj-Napoca, Romania.
  • Borodi G; Molecular and Biomolecular Physics, National Institute for R&D of Isotopic and Molecular Technologies, Donat 67-103, PO 5 Box 700, 400293 Cluj-Napoca, Romania.
Acta Crystallogr C Struct Chem ; 78(Pt 4): 240-249, 2022 04 01.
Article em En | MEDLINE | ID: mdl-35380127
Seven solvates of the angiotensin II receptor blocker agent olmesartan (C24H26N6O3), namely, the methanol (C24H26N6O3·CH4O), ethanol (C24H26N6O3·C2H6O), isopropanol (C24H26N6O3·C3H8O), isobutanol (C24H26N6O3·C4H10O), 2-ethoxyethanol (C24H26N6O3·C4H10O2), chloroform (C24H26N6O3·CHCl3) and acetonitrile (C24H26N6O3·C2H3N) solvates, were successfully obtained. The crystal structures were determined using the single-crystal X-ray diffraction technique and the structural features are described, each solvate containing one molecule of olmesartan and one of solvent in the asymmetric unit. The samples were also analyzed by powder X-ray diffraction. Total lattice energies and binding energies between the olmesartan and solvent molecules were evaluated, which can be partitioned into electrostatic, polarization, dispersion and repulsion components. Hirshfeld and fingerprint plot analysis was performed to highlight the intermolecular contacts. Hydrogen bonding and supramolecular arrangements were comparatively studied for the seven solvates.
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Tetrazóis Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Tetrazóis Idioma: En Ano de publicação: 2022 Tipo de documento: Article