Information card for entry 2210164

Structure parameters

• Chemical name: (E)-2-Hydroxy-3-methoxy-5-[(4-propylphenyl)diazenyl]benzaldehyde
• Formula: C18 H20 N2 O3
• Calculated formula: C18 H20 N2 O3
• SMILES: O=Cc1cc(N=Nc2ccc(cc2)CCCC)cc(OC)c1O
• Title of publication: (<i>E</i>)-2-Hydroxy-3-methoxy-5-[(4-propylphenyl)diazenyl]benzaldehyde
• 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: 9
• Pages of publication: o3695 - o3696
• a: 4.6264 ± 0.001 Å
• b: 35.911 ± 0.007 Å
• c: 10.342 ± 0.002 Å
• α: 90°
• β: 101.974 ± 0.016°
• γ: 90°
• Cell volume: 1680.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1628
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes