Information card for entry 2011558

Structure parameters

• Chemical name: 4-Anilino-3-nitropyridine
• Formula: C11 H9 N3 O2
• Calculated formula: C11 H9 N3 O2
• SMILES: n1cc(N(=O)=O)c(cc1)Nc1ccccc1
• Title of publication: 4-Anilino-3-nitropyridine
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e535 - e535
• a: 9.9036 ± 0.0002 Å
• b: 19.9452 ± 0.0004 Å
• c: 13.666 ± 0.0003 Å
• α: 90°
• β: 133.561 ± 0.001°
• γ: 90°
• Cell volume: 1956.12 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes