Information card for entry 2224249

Structure parameters

• Common name: 2-hydrocy-5-[(4-methylphenyl)diazenyl]benzaldehyde
• Chemical name: 5-[(4-methylphenyl)diazenyl]salicylaldehyde
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: Oc1c(cc(N=Nc2ccc(cc2)C)cc1)C=O
• Title of publication: An orthorhombic polymorph of 5-[(4-methylphenyl)diazenyl]salicylaldehyde
• Authors of publication: Basu Baul, Tushar S.; Kundu, Sajal; Arman, Hadi D.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3061
• a: 6.016 ± 0.004 Å
• b: 14.299 ± 0.009 Å
• c: 26.878 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312 ± 3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes