Information card for entry 2200308

Structure parameters

• Chemical name: 4-[(3-Pyridylamino)methyl]phenol
• Formula: C12 H12 N2 O
• Calculated formula: C12 H12 N2 O
• SMILES: Oc1ccc(cc1)CNc1cnccc1
• Title of publication: 4-[(3-Pyridylamino)methyl]phenol
• Authors of publication: Chen, Zhen-Feng; Xie, Yong-Rong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Xiong, Ren-Gen; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o411 - o413
• a: 6.5392 ± 0.0002 Å
• b: 7.6077 ± 0.0001 Å
• c: 20.3127 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1010.52 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes