Information card for entry 2229297

Structure parameters

• Chemical name: 2,3-Dimethoxybenzaldehyde azine
• Formula: C18 H20 N2 O4
• Calculated formula: C18 H20 N2 O4
• SMILES: COc1c(cccc1OC)/C=N/N=C/c1cccc(c1OC)OC
• Title of publication: 2,3-Dimethoxybenzaldehyde azine
• Authors of publication: Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o531
• a: 8.0294 ± 0.0002 Å
• b: 17.9415 ± 0.0005 Å
• c: 17.5258 ± 0.0004 Å
• α: 90°
• β: 96.66 ± 0.002°
• γ: 90°
• Cell volume: 2507.72 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes