Information card for entry 2219480

Structure parameters

• Chemical name: 4-Methoxy-<i>N</i>-(2-nitrobenzylidene)aniline
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: O(c1ccc(/N=C/c2c(N(=O)=O)cccc2)cc1)C
• Title of publication: 4-Methoxy-<i>N</i>-(2-nitrobenzylidene)aniline
• Authors of publication: Ren, Xiao-Yan; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2027
• a: 4.001 ± 0.0008 Å
• b: 7.841 ± 0.0016 Å
• c: 40.447 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes