Information card for entry 2217801

Structure parameters

• Common name: N-decyl-4-nitroaniline
• Chemical name: N-(n-Decyl)-4-nitroaniline
• Formula: C16 H26 N2 O2
• Calculated formula: C16 H26 N2 O2
• SMILES: O=N(=O)c1ccc(NCCCCCCCCCC)cc1
• Title of publication: <i>N</i>-(<i>n</i>-Decyl)-4-nitroaniline
• Authors of publication: Yonkey, Matthew M.; Walczak, Christopher P.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o549
• a: 13.291 ± 0.006 Å
• b: 29.117 ± 0.012 Å
• c: 8.279 ± 0.004 Å
• α: 90°
• β: 91.457 ± 0.007°
• γ: 90°
• Cell volume: 3203 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes