Information card for entry 2200694

Structure parameters

• Chemical name: 1-Acetyl-1,2-dihydro-3-hydroxy-3-(benzofuran-3-yl)-2-oxo-(3H)indole
• Formula: C18 H13 N O4
• Calculated formula: C18 H13 N O4
• SMILES: o1cc(c2c1cccc2)C1(O)C(=O)N(c2ccccc12)C(=O)C
• Title of publication: 1-Acetyl-3-(benzofuran-3-yl)-1,2-dihydro-3-hydroxy-2-oxo-3<i>H</i>-indole
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1070 - o1072
• a: 7.59 ± 0.0006 Å
• b: 9.6858 ± 0.0008 Å
• c: 10.404 ± 0.0009 Å
• α: 74.141 ± 0.002°
• β: 83.65 ± 0.002°
• γ: 78.772 ± 0.002°
• Cell volume: 720.32 ± 0.1 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: 0.1221
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes