Information card for entry 2216316

Structure parameters

• Chemical name: 2-(Anilinomethyl)phenol
• Formula: C13 H13 N O
• Calculated formula: C13 H13 N O
• SMILES: N(Cc1c(O)cccc1)c1ccccc1
• Title of publication: 2-(Anilinomethyl)phenol
• Authors of publication: Qu, Yuan; Tian, Lai-Jin; Dong, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4832 - o4832
• a: 5.5911 ± 0.0016 Å
• b: 7.932 ± 0.002 Å
• c: 11.803 ± 0.003 Å
• α: 90.649 ± 0.005°
• β: 91.985 ± 0.004°
• γ: 90.323 ± 0.005°
• Cell volume: 523.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes