Information card for entry 2022586

Structure parameters

• Common name: Olmesartan 2-ethoxyethanol 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 2-ethoxyethanol monosolvate
• Formula: C28 H36 N6 O5
• Calculated formula: C28 H36 N6 O5
• SMILES: OC(c1[nH+]c(n(Cc2ccc(cc2)c2c(c3[nH]nnn3)cccc2)c1C(=O)[O-])CCC)(C)C.O(CC)CCO
• 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: 10.25267 ± 0.0001 Å
• b: 19.21448 ± 0.00019 Å
• c: 14.29015 ± 0.00017 Å
• α: 90°
• β: 90.1353 ± 0.001°
• γ: 90°
• Cell volume: 2815.15 ± 0.05 ų
• Cell temperature: 101.5 ± 0.3 K
• Ambient diffraction temperature: 101.5 ± 0.3 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: 0.0484
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes