Information card for entry 2231668

Structure parameters

• Chemical name: 2-[(4-Methoxyanilino)methyl]phenol
• Formula: C14 H15 N O2
• Calculated formula: C14 H15 N O2
• SMILES: Oc1c(CNc2ccc(OC)cc2)cccc1
• Title of publication: 2-[(4-Methoxyanilino)methyl]phenol
• Authors of publication: Shu, Hong; Yu, Ning-Shu; Xie, Guo-Lan; Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2304
• a: 7.8132 ± 0.0016 Å
• b: 5.7947 ± 0.0012 Å
• c: 26.175 ± 0.005 Å
• α: 90°
• β: 95.02 ± 0.03°
• γ: 90°
• Cell volume: 1180.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes