Information card for entry 2235923

Structure parameters

• Chemical name: 2-(2-Fluoro-4-hydroxybenzyl)isoindoline-1,3-dione
• Formula: C15 H10 F N O3
• Calculated formula: C15 H10 F N O3
• SMILES: Fc1c(ccc(O)c1)CN1C(=O)c2c(C1=O)cccc2
• Title of publication: 2-(2-Fluoro-4-hydroxybenzyl)isoindoline-1,3-dione
• Authors of publication: Vesek, Hilal; Kazak, Canan; Alaman Ağar, Ayşen; Gümüş, Sümeyye; Aygün, Muhittin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2478
• a: 12.4362 ± 0.0007 Å
• b: 13.8189 ± 0.0008 Å
• c: 7.2376 ± 0.0004 Å
• α: 90°
• β: 105.784 ± 0.006°
• γ: 90°
• Cell volume: 1196.92 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.1083
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes