Information card for entry 2234895

Structure parameters

• Chemical name: 1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine
• Formula: C17 H25 N3 O2
• Calculated formula: C17 H25 N3 O2
• SMILES: c1(cc(ccc1)N(=O)=O)C(N1CCCCC1)N1CCCCC1
• Title of publication: 1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine
• Authors of publication: Wang, Zhe-Qin; Ma, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1941
• a: 12.1993 ± 0.0014 Å
• b: 8.2012 ± 0.0009 Å
• c: 33.453 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3346.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes