Information card for entry 2234871

Structure parameters

• Chemical name: 2,4-Dimethyl-6-nitroaniline
• Formula: C8 H10 N2 O2
• Calculated formula: C8 H10 N2 O2
• SMILES: O=N(=O)c1c(N)c(cc(c1)C)C
• Title of publication: 2,4-Dimethyl-6-nitroaniline
• Authors of publication: Chen, Hu-Kui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1392
• a: 6.997 ± 0.002 Å
• b: 14.919 ± 0.004 Å
• c: 15.907 ± 0.005 Å
• α: 90°
• β: 101.176 ± 0.004°
• γ: 90°
• Cell volume: 1629 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes