Information card for entry 2233268

Structure parameters

• Chemical name: (<i>E</i>)-4-[(3,5-Dimethylphenyl)iminomethyl]-2-methoxy-3-nitrophenol
• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• SMILES: N(=O)(=O)c1c(OC)c(O)ccc1/C=N/c1cc(cc(c1)C)C
• Title of publication: (<i>E</i>)-4-[(3,5-Dimethylphenyl)iminomethyl]-2-methoxy-3-nitrophenol
• Authors of publication: Yang, Zhong-Ming; Su, Deng-Cheng; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o220
• a: 8.616 ± 0.009 Å
• b: 9.69 ± 0.011 Å
• c: 18.29 ± 0.02 Å
• α: 90°
• β: 97.631 ± 0.011°
• γ: 90°
• Cell volume: 1513 ± 3 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: 0.0984
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes