Information card for entry 2022583

Structure parameters

• Common name: Olmesartan ethanol monosolvate
• Chemical name: 4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate ethanol monosolvate
• Formula: C26 H32 N6 O4
• Calculated formula: C26 H32 N6 O4
• SMILES: O=C([O-])c1n(c([nH+]c1C(O)(C)C)CCC)Cc1ccc(cc1)c1c(c2[nH]nnn2)cccc1.OCC
• Title of publication: Structural studies of various olmesartan solvates
• Authors of publication: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 9.7816 ± 0.0003 Å
• b: 18.3758 ± 0.0005 Å
• c: 14.1998 ± 0.0004 Å
• α: 90°
• β: 91.029 ± 0.003°
• γ: 90°
• Cell volume: 2551.93 ± 0.13 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes