Information card for entry 2223158

Structure parameters

• Chemical name: 4-[(2-Hydroxy-1-naphthyl)(piperidin-1-yl)methyl]benzonitrile
• Formula: C23 H22 N2 O
• Calculated formula: C23 H22 N2 O
• SMILES: c1(c(ccc2ccccc12)O)C(c1ccc(cc1)C#N)N1CCCCC1
• Title of publication: 4-[(2-Hydroxy-1-naphthyl)(piperidin-1-yl)methyl]benzonitrile
• Authors of publication: Zhang, Yuan; Li, Yong Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2257
• a: 6.9989 ± 0.0006 Å
• b: 15.588 ± 0.001 Å
• c: 17.211 ± 0.001 Å
• α: 90°
• β: 101.207 ± 0.002°
• γ: 90°
• Cell volume: 1841.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes