Information card for entry 2205814

Structure parameters

• Chemical name: 2-Acetyl-3-amino-1-benzofuran
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: CC(=O)c1c(c2ccccc2o1)N
• Title of publication: 2-Acetyl-3-amino-1-benzofuran
• Authors of publication: Ocak Ískeleli, Nazan; Kazak, Canan; Kırılmış, Cumhur; Koca, Murat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1212 - o1213
• a: 5.18 ± 0.0004 Å
• b: 16.56 ± 0.0014 Å
• c: 10.2271 ± 0.0008 Å
• α: 90°
• β: 104.02 ± 0.006°
• γ: 90°
• Cell volume: 851.16 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes