Information card for entry 2240355

Structure parameters

• Chemical name: Methyl 2-ethoxy-1-{4-[2-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]benzyl}-1<i>H</i>-1,3-benzodiazole-7-carboxylate ethyl acetate hemisolvate
• Formula: C28 H26 N4 O6
• Calculated formula: C28 H26 N4 O6
• SMILES: n1c2c(n(Cc3ccc(c4c(cccc4)C4NC(=O)ON=4)cc3)c1OCC)c(C(=O)OC)ccc2.O(C(=O)C)CC
• Title of publication: Crystal structure of azilsartan methyl ester ethyl acetate hemisolvate
• Authors of publication: Li, Zhengyi; Liu, Rong; Zhu, Meilan; Chen, Liang; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o84 - o85
• a: 13.662 ± 0.005 Å
• b: 14.928 ± 0.006 Å
• c: 15.356 ± 0.01 Å
• α: 95.459 ± 0.011°
• β: 106.226 ± 0.011°
• γ: 116.524 ± 0.008°
• Cell volume: 2601 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes