Information card for entry 2222329

Structure parameters

• Chemical name: 4-Methyl-3-nitropyridin-2-amine
• Formula: C6 H7 N3 O2
• Calculated formula: C6 H7 N3 O2
• SMILES: O=N(=O)c1c(nccc1C)N
• Title of publication: 4-Methyl-3-nitropyridin-2-amine
• Authors of publication: Khan, Misbahul Ain; Tahir, M. Nawaz; Ather, Abdul Qayyum; Shaheen, Maryam; Khan, Rauf Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1615
• a: 7.3776 ± 0.0006 Å
• b: 12.8673 ± 0.0011 Å
• c: 7.3884 ± 0.0006 Å
• α: 90°
• β: 104.364 ± 0.004°
• γ: 90°
• Cell volume: 679.45 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes