Information card for entry 2205993

Structure parameters

• Chemical name: 2-Acetyl-3-(benzoylamino)-1-benzofuran
• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• SMILES: c12ccccc1c(c(C(=O)C)o2)NC(=O)c1ccccc1
• Title of publication: 2-Acetyl-3-(benzoylamino)-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: 6
• Pages of publication: o1571 - o1573
• a: 8.9283 ± 0.0012 Å
• b: 7.4852 ± 0.0012 Å
• c: 20.273 ± 0.003 Å
• α: 90°
• β: 97.032 ± 0.011°
• γ: 90°
• Cell volume: 1344.7 ± 0.3 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: 0.1803
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes