Information card for entry 2013943

Structure parameters

• Chemical name: 3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde
• Formula: C15 H14 N2 O3
• Calculated formula: C15 H14 N2 O3
• SMILES: c1(ccc(cc1)C)N=Nc1cc(c(c(c1)OC)O)C=O
• Title of publication: 3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde
• Authors of publication: Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2004
• Journal volume: 60
• Pages of publication: o455 - o457
• a: 6.746 ± 0.005 Å
• b: 12.529 ± 0.005 Å
• c: 15.556 ± 0.005 Å
• α: 90°
• β: 91.842 ± 0.005°
• γ: 90°
• Cell volume: 1314.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No