Information card for entry 2236764

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate
• Formula: C13 H12 F N3 O2
• Calculated formula: C13 H12 F N3 O2
• SMILES: Fc1cccnc1/C=N/NC(=O)c1ccccc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate
• Authors of publication: Nair, Yamuna; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2709
• a: 8.254 ± 0.0004 Å
• b: 11.5489 ± 0.0004 Å
• c: 26.1962 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2497.14 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes