Information card for entry 2231664

Structure parameters

• Chemical name: 2-[(4-Chlorophenyl)aminomethyl]phenol
• Formula: C13 H12 Cl N O
• Calculated formula: C13 H12 Cl N O
• SMILES: Clc1ccc(NCc2c(O)cccc2)cc1
• Title of publication: 2-[(4-Chlorophenyl)aminomethyl]phenol
• Authors of publication: Xu, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2364
• a: 5.5842 ± 0.0011 Å
• b: 7.9485 ± 0.0016 Å
• c: 13.023 ± 0.003 Å
• α: 86.87 ± 0.03°
• β: 89.12 ± 0.03°
• γ: 88.65 ± 0.03°
• Cell volume: 577 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes