Information card for entry 2208913

Structure parameters

• Chemical name: (E)-5-[(3-Chlorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
• Formula: C14 H11 Cl N2 O3
• Calculated formula: C14 H11 Cl N2 O3
• SMILES: Clc1cccc(/N=N/c2cc(c(O)c(OC)c2)C=O)c1
• Title of publication: (<i>E</i>)-5-[(3-Chlorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
• Authors of publication: Karadayı, Nevzat; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1699 - o1701
• a: 12.3199 ± 0.0015 Å
• b: 13.0849 ± 0.0017 Å
• c: 16.6349 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2681.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.076
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes