Information card for entry 2242189

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3-Fluoro-2-hydroxybenzylidene)isonicotinohydrazide
• Formula: C13 H10 F N3 O2
• Calculated formula: C13 H10 F N3 O2
• SMILES: Fc1c(O)c(/C=N/NC(=O)c2ccncc2)ccc1
• Title of publication: Crystal structure of (<i>E</i>)-<i>N</i>'-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide
• Authors of publication: Jiajaroen, Suwadee; Chainok, Kittipong; Kielar, Filip
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1151 - 1153
• a: 7.8555 ± 0.0003 Å
• b: 10.2748 ± 0.0005 Å
• c: 14.939 ± 0.0007 Å
• α: 90°
• β: 92.397 ± 0.002°
• γ: 90°
• Cell volume: 1204.73 ± 0.09 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: 0.0623
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes