Information card for entry 2220531

Structure parameters

• Chemical name: 4-Methoxy-<i>N</i>-phenylaniline
• Formula: C13 H13 N O
• Calculated formula: C13 H13 N O
• SMILES: c1(ccc(cc1)OC)Nc1ccccc1
• Title of publication: 4-Methoxy-<i>N</i>-phenylaniline
• Authors of publication: Krzymiński, Karol; Wera, Michał; Sikorski, Artur; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o152
• a: 15.09 ± 0.003 Å
• b: 18.394 ± 0.004 Å
• c: 7.596 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108.4 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes