Information card for entry 2235604

Structure parameters

• Chemical name: 2-(2,4-Difluorophenyl)-5-nitropyridine
• Formula: C11 H6 F2 N2 O2
• Calculated formula: C11 H6 F2 N2 O2
• SMILES: Fc1c(c2ncc(N(=O)=O)cc2)ccc(F)c1
• Title of publication: 2-(2,4-Difluorophenyl)-5-nitropyridine
• Authors of publication: Sun, Feng; Shen, Xuan; Zhao, Rui; Wang, Xin; Zhu, Dun-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2001
• a: 22.185 ± 0.004 Å
• b: 3.7457 ± 0.0006 Å
• c: 11.894 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 988.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes