Information card for entry 7059191

Structure parameters

• Common name: Azilsartan-Piperazine-ethanol
• Chemical name: '2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:ethanol(1:0.5:1) '
• Formula: C29 H31 N5 O6
• Calculated formula: C29 H31 N5 O6
• Title of publication: Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability
• Authors of publication: Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 852 - 860
• a: 5.7924 ± 0.0004 Å
• b: 13.4728 ± 0.0013 Å
• c: 17.3811 ± 0.0018 Å
• α: 82.781 ± 0.008°
• β: 85.788 ± 0.007°
• γ: 89.002 ± 0.007°
• Cell volume: 1342 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0958
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No