Information card for entry 2233695

Structure parameters

• Chemical name: 3,3-Diethoxy-5-fluoro-2,3-dihydro-1<i>H</i>-indol-2-one
• Formula: C12 H14 F N O3
• Calculated formula: C12 H14 F N O3
• SMILES: Fc1ccc2NC(=O)C(OCC)(OCC)c2c1
• Title of publication: 3,3-Diethoxy-5-fluoro-2,3-dihydro-1<i>H</i>-indol-2-one
• Authors of publication: Bari, Ahmed; Al-Obaid, Abdulrahman M.; Saeed, Ali Syed; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o487
• a: 9.3218 ± 0.0006 Å
• b: 9.432 ± 0.0005 Å
• c: 14.1544 ± 0.0008 Å
• α: 100.475 ± 0.005°
• β: 104.453 ± 0.005°
• γ: 90.238 ± 0.005°
• Cell volume: 1183.43 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes