Information card for entry 2220619

Structure parameters

• Chemical name: (<i>Z</i>)-5-Fluoro-3-[(1<i>H</i>-pyrrol-2-yl)methylene]indolin-2-one
• Formula: C13 H9 F N2 O
• Calculated formula: C13 H9 F N2 O
• SMILES: N1C(=O)C(=C\c2[nH]ccc2)/c2cc(F)ccc12
• Title of publication: (<i>Z</i>)-5-Fluoro-3-[(1<i>H</i>-pyrrol-2-yl)methylene]indolin-2-one
• Authors of publication: Zhang, Hongming; Ankati, Haribabu; Akubathini, Shashidhar Kumar; Biehl, Ed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o8
• a: 7.6093 ± 0.0005 Å
• b: 6.127 ± 0.0004 Å
• c: 22.8912 ± 0.0016 Å
• α: 90°
• β: 91.39 ± 0.001°
• γ: 90°
• Cell volume: 1066.92 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.063
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes