Information card for entry 2235032

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide
• Formula: C15 H13 F N2 O
• Calculated formula: C15 H13 F N2 O
• SMILES: Fc1cc(ccc1)/C=N/NC(=O)c1ccc(cc1)C
• Title of publication: (<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide
• Authors of publication: Hu, Hua-Nan; Liu, Shi-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1643
• a: 13.2629 ± 0.0005 Å
• b: 7.9118 ± 0.0003 Å
• c: 24.9235 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2615.31 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes