Information card for entry 2221287

Structure parameters

• Chemical name: 2-[(4-Methoxyphenyl)iminomethyl]-4-nitrophenol
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: c1(cc(ccc1O)N(=O)=O)/C=N/c1ccc(cc1)OC
• Title of publication: 2-[(4-Methoxyphenyl)iminomethyl]-4-nitrophenol
• Authors of publication: Kılıç, Işın; Ağar, Erbil; Erşahin, Ferda; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o737
• a: 3.8883 ± 0.0003 Å
• b: 21.6202 ± 0.0017 Å
• c: 15.3127 ± 0.0011 Å
• α: 90°
• β: 97.887 ± 0.001°
• γ: 90°
• Cell volume: 1275.1 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes