Information card for entry 2227594

Structure parameters

• Chemical name: <i>N</i>-(4-Methylphenyl)-3-nitropyridin-2-amine
• Formula: C12 H11 N3 O2
• Calculated formula: C12 H11 N3 O2
• SMILES: O=N(=O)c1cccnc1Nc1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Methylphenyl)-3-nitropyridin-2-amine
• Authors of publication: Aznan Akhmad, Mardia Aina; Abdullah, Zanariah; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2400
• a: 10.6557 ± 0.0012 Å
• b: 7.1415 ± 0.0008 Å
• c: 27.958 ± 0.003 Å
• α: 90°
• β: 91.31 ± 0.002°
• γ: 90°
• Cell volume: 2127 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes