Information card for entry 2211499

Structure parameters

• Chemical name: (E)-N'-(4-Fluorobenzylidene)isonicotinohydrazide monohydrate
• Formula: C13 H12 F N3 O2
• Calculated formula: C13 H12 F N3 O2
• SMILES: Fc1ccc(cc1)/C=N/NC(=O)c1ccncc1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Fluorobenzylidene)isonicotinohydrazide monohydrate
• Authors of publication: Chen, Shi-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5352 - o5353
• a: 6.469 ± 0.002 Å
• b: 7.021 ± 0.002 Å
• c: 27.351 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.3 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes