Information card for entry 2207427

Structure parameters

• Chemical name: (E)-5-[(3-Bromophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
• Formula: C14 H11 Br N2 O3
• Calculated formula: C14 H11 Br N2 O3
• SMILES: COc1c(c(cc(c1)/N=N/c1cc(ccc1)Br)C=O)O
• Title of publication: (<i>E</i>)-5-[(3-Bromophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
• Authors of publication: Şahin, Onur; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4276 - o4278
• a: 12.5131 ± 0.0006 Å
• b: 13.2636 ± 0.0006 Å
• c: 16.5594 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2748.3 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes