Information card for entry 2232702

Structure parameters

• Common name: N-(4-Chlorphenyl)-3-nitropyridine-2-amine
• Chemical name: <i>N</i>-(4-Chlorophenyl)-3-nitropyridin-2-amine
• Formula: C11 H8 Cl N3 O2
• Calculated formula: C11 H8 Cl N3 O2
• SMILES: Clc1ccc(Nc2ncccc2N(=O)=O)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-3-nitropyridin-2-amine
• Authors of publication: Akhmad Aznan, Aina Mardia; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3176
• a: 30.472 ± 0.003 Å
• b: 3.8032 ± 0.0004 Å
• c: 21.3 ± 0.002 Å
• α: 90°
• β: 123.153 ± 0.001°
• γ: 90°
• Cell volume: 2066.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0907
• 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