Information card for entry 2233986

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-3-nitrobenzohydrazide
• Formula: C14 H10 F N3 O3
• Calculated formula: C14 H10 F N3 O3
• SMILES: Fc1cc(/C=N/NC(=O)c2cc(N(=O)=O)ccc2)ccc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-3-nitrobenzohydrazide
• Authors of publication: Li, Xiao-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o697
• a: 11.823 ± 0.002 Å
• b: 12.813 ± 0.003 Å
• c: 8.702 ± 0.0017 Å
• α: 90°
• β: 94.855 ± 0.002°
• γ: 90°
• Cell volume: 1313.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1352
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes