Information card for entry 2231034

Structure parameters

• Common name: 3-Aminobenzyl alcohol
• Chemical name: (3-Aminophenyl)methanol
• Formula: C7 H9 N O
• Calculated formula: C7 H9 N O
• SMILES: OCc1cc(N)ccc1
• Title of publication: (3-Aminophenyl)methanol
• Authors of publication: Betz, Richard; Gerber, Thomas; Hosten, Eric
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2118
• a: 4.7977 ± 0.0004 Å
• b: 6.2954 ± 0.0006 Å
• c: 21.6341 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 653.42 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes