Information card for entry 2005290

Structure parameters

• Chemical name: 2-Nitro-4-methylaniline
• Formula: C7 H8 N2 O2
• Calculated formula: C7 H8 N2 O2
• SMILES: O=N(=O)c1c(N)ccc(c1)C
• Title of publication: 4-Methyl-2-nitroaniline
• Authors of publication: Ellena, J.; Punte, G.; Rivero, B. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2074 - 2076
• a: 13.401 ± 0.004 Å
• b: 9.103 ± 0.002 Å
• c: 12.375 ± 0.008 Å
• α: 90°
• β: 103.84 ± 0.03°
• γ: 90°
• Cell volume: 1465.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.0729
• Goodness-of-fit parameter for all reflections: 1.38
• Goodness-of-fit parameter for significantly intense reflections: 1.458
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No