Information card for entry 2205936

Structure parameters

• Chemical name: 4-Methoxy-2-methyl-N-phenylaniline
• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: O(c1ccc(Nc2ccccc2)c(c1)C)C
• Title of publication: 4-Methoxy-2-methyl-<i>N</i>-phenylaniline
• Authors of publication: Si-Qian Wang; Zhen-Feng Zhang; Xin Wang; Mei-Yu Huang; Ying-Yan Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1872 - o1874
• a: 6.3265 ± 0.0013 Å
• b: 11.047 ± 0.002 Å
• c: 9.003 ± 0.0018 Å
• α: 90°
• β: 109.14 ± 0.03°
• γ: 90°
• Cell volume: 594.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes