Information card for entry 2207428

Structure parameters

• Chemical name: (E)-5-[(2-Fluorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
• Formula: C14 H11 F N2 O3
• Calculated formula: C14 H11 F N2 O3
• SMILES: c1(ccccc1/N=N/c1cc(c(c(c1)OC)O)C=O)F
• Title of publication: (<i>E</i>)-5-[(2-Fluorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
• Authors of publication: Şahin, Onur; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4279 - o4281
• a: 10.7956 ± 0.0008 Å
• b: 13.7521 ± 0.0013 Å
• c: 8.3078 ± 0.0006 Å
• α: 90°
• β: 92.274 ± 0.006°
• γ: 90°
• Cell volume: 1232.42 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes