Information card for entry 2239158

Structure parameters

• Chemical name: 2-(2-Fluoro-4-nitrophenoxy)-3-nitropyridine
• Formula: C11 H6 F N3 O5
• Calculated formula: C11 H6 F N3 O5
• SMILES: c1(c(ccc(c1)N(=O)=O)Oc1c(cccn1)N(=O)=O)F
• Title of publication: 2-(2-Fluoro-4-nitrophenoxy)-3-nitropyridine
• Authors of publication: Cui, Lili; He, Xingquan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o100
• a: 7.5275 ± 0.0015 Å
• b: 21.804 ± 0.004 Å
• c: 7.1681 ± 0.0014 Å
• α: 90°
• β: 101.07 ± 0.03°
• γ: 90°
• Cell volume: 1154.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes