Information card for entry 2233017

Structure parameters

• Chemical name: 2-[(Pyridin-3-ylamino)methyl]phenol
• Formula: C12 H12 N2 O
• Calculated formula: C12 H12 N2 O
• SMILES: Oc1ccccc1CNc1cnccc1
• Title of publication: 2-[(Pyridin-3-ylamino)methyl]phenol
• Authors of publication: Xu, Jing; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3259
• a: 5.8386 ± 0.0011 Å
• b: 13.399 ± 0.003 Å
• c: 13.169 ± 0.003 Å
• α: 90°
• β: 90.519 ± 0.006°
• γ: 90°
• Cell volume: 1030.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes