Information card for entry 2242188

Structure parameters

• Common name: 5-Fluoroisatin-3-oxime
• Chemical name: (3<i>Z</i>)-5-Fluoro-3-(hydroxyimino)indolin-2-one
• Formula: C8 H5 F N2 O2
• Calculated formula: C8 H5 F N2 O2
• SMILES: C1(=O)C(=N\O)\c2cc(ccc2N1)F
• Title of publication: Crystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3<i>Z</i>)-5-fluoro-3-(hydroxyimino)indolin-2-one
• Authors of publication: Martins, Bianca Barreto; Bresolin, Leandro; de Farias, Renan Lira; de Oliveira, Adriano Bof; Gervini, Vanessa Carratu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 987 - 992
• a: 7.3036 ± 0.001 Å
• b: 7.2045 ± 0.001 Å
• c: 14.009 ± 0.002 Å
• α: 90°
• β: 94.736 ± 0.004°
• γ: 90°
• Cell volume: 734.62 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes