Information card for entry 8103379

Structure parameters

• Common name: 2-((benzhydrylimino)methyl)phenol
• Chemical name: 2-((benzhydrylimino)methyl)phenol
• Formula: C20 H17 N O
• Calculated formula: C20 H17 N O
• SMILES: Oc1ccccc1/C=N/C(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 2-((benzhydrylimino)methyl)phenol, C20H17NO
• Authors of publication: Xiu-Guang Yi; Lu-Ping Zhong; Li-Qun Yan; Yun-Ling Hu; Zheng-Da Zou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 249
• a: 8.5059 ± 0.0014 Å
• b: 6.0803 ± 0.001 Å
• c: 15.417 ± 0.003 Å
• α: 90°
• β: 99.745 ± 0.002°
• γ: 90°
• Cell volume: 785.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No