Information card for entry 2206648

Structure parameters

• Common name: N-3-nitrobenzylidene-p-toluidine N-p-toluidene-3-nitrobenzeneamine
• Chemical name: N-[(3-nitrophenyl)methylene]-4-methylbenzenamine N-(4-methylphenyl)-3-nitrobenzylideneamine
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: O=N(=O)c1cccc(/C=N/c2ccc(C)cc2)c1
• Title of publication: <i>N</i>-(3-Nitrobenzylidene)-<i>p</i>-toluidine
• Authors of publication: Wen Yang; Yan Zhang; De-Chun Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2964 - o2966
• a: 13.413 ± 0.002 Å
• b: 13.115 ± 0.002 Å
• c: 7.104 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1249.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes