Information card for entry 2223939

Structure parameters

• Chemical name: 5-Nitro-2-(piperidin-1-yl)benzaldehyde
• Formula: C12 H14 N2 O3
• Calculated formula: C12 H14 N2 O3
• SMILES: N(=O)(=O)c1cc(c(N2CCCCC2)cc1)C=O
• Title of publication: 5-Nitro-2-(piperidin-1-yl)benzaldehyde
• Authors of publication: N'Gouan, A. J.; Mansilla-Koblavi, F.; Timotou, A.; Adjou, A.; Ebby, N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2880
• a: 5.686 ± 0.002 Å
• b: 10.102 ± 0.005 Å
• c: 10.221 ± 0.004 Å
• α: 80.767 ± 0.002°
• β: 80.733 ± 0.003°
• γ: 86.034 ± 0.002°
• Cell volume: 571.4 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes