Information card for entry 2015887

Structure parameters

• Chemical name: N,N'-bis(2-methoxybenzylidene)phenylene-1,4-diamine
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: COc1ccccc1/C=N/c1ccc(cc1)/N=C/c1ccccc1OC
• Title of publication: Isomeric Schiff bases related by dual imino-group reversals
• Authors of publication: Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o207 - o211
• a: 5.958 ± 0.0005 Å
• b: 12.2984 ± 0.001 Å
• c: 11.9168 ± 0.0009 Å
• α: 90°
• β: 90.185 ± 0.001°
• γ: 90°
• Cell volume: 873.19 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes