Information card for entry 2225042

Structure parameters

• Chemical name: 4-[4-(Piperidin-1-yl)piperidin-1-yl]benzonitrile
• Formula: C17 H23 N3
• Calculated formula: C17 H23 N3
• SMILES: N1(CCCCC1)C1CCN(CC1)c1ccc(cc1)C#N
• Title of publication: 4-[4-(Piperidin-1-yl)piperidin-1-yl]benzonitrile
• Authors of publication: Xu, Guo-bin; Shi, Jian-you; Chen, Li-juan; Luo, You-fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o284
• a: 10.09 ± 0.002 Å
• b: 11.1 ± 0.002 Å
• c: 13.446 ± 0.003 Å
• α: 90°
• β: 100.72 ± 0.03°
• γ: 90°
• Cell volume: 1479.7 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes