Information card for entry 2229899

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide
• Formula: C14 H10 Br F N2 O
• Calculated formula: C14 H10 Br F N2 O
• SMILES: Brc1c(/C=N/NC(=O)c2c(F)cccc2)cccc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide
• Authors of publication: Zhang, Dong-Fang; Liu, Da-Yong; Li, Chuan-Xun; Huang, Shan-Shan; Zhang, Bao-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o940
• a: 11.853 ± 0.002 Å
• b: 9.6507 ± 0.0018 Å
• c: 22.921 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2621.9 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes