Information card for entry 2242951

Structure parameters

• Chemical name: Butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate
• Formula: C19 H18 N2 O6
• Calculated formula: C19 H18 N2 O6
• Title of publication: Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate
• Authors of publication: Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 880 - 887
• a: 9.442 ± 0.0016 Å
• b: 9.558 ± 0.003 Å
• c: 11.419 ± 0.002 Å
• α: 110.58 ± 0.02°
• β: 95.669 ± 0.019°
• γ: 108.863 ± 0.019°
• Cell volume: 886.3 ± 0.4 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: 0.2174
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes