Information card for entry 2233163

Structure parameters

• Chemical name: (<i>E</i>)-2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: c1(ccccc1O)/C=N/C1CCN(CC1)Cc1ccccc1
• Title of publication: (<i>E</i>)-2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol
• Authors of publication: Fang, Rui-Qin; Xiao, Zhu-Ping; Zuo, Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o85
• a: 10.603 ± 0.002 Å
• b: 9.633 ± 0.0019 Å
• c: 32.595 ± 0.007 Å
• α: 90°
• β: 95.6 ± 0.03°
• γ: 90°
• Cell volume: 3313.3 ± 1.2 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: 0.1957
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes