Information card for entry 1548791

Structure parameters

• Common name: (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol
• Formula: C19 H14 Br F N2 O
• Calculated formula: C19 H14 Br F N2 O
• SMILES: Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)cc1F
• Title of publication: (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol
• Authors of publication: Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 12
• Pages of publication: x171708
• a: 13.4521 ± 0.0015 Å
• b: 7.181 ± 0.0007 Å
• c: 34.204 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3304.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1458
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes