Information card for entry 8102618

Structure parameters

• Chemical name: 2-((4-methyl-phenylamino)methyl)phenol, C~14~H~15~NO
• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: c1(ccccc1CNc1ccc(C)cc1)O
• Title of publication: Crystal structure of 2-((4-methylphenylamino)methyl)phenol, C14H15NO
• Authors of publication: Zi-Long Tang; Zhong-Hua Zhu; Wei-Wen Chen; Han-Wen Liu; Liang-Cai Yu; Ke-Long Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 145
• a: 5.7612 ± 0.0016 Å
• b: 7.891 ± 0.002 Å
• c: 12.734 ± 0.004 Å
• α: 89.396 ± 0.014°
• β: 87.772 ± 0.013°
• γ: 88.599 ± 0.014°
• Cell volume: 578.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No