Information card for entry 2230449

Structure parameters

• Chemical name: <i>N</i>^6^-(4-Fluorobenzyl)-3-nitropyridine-2,6-diamine
• Formula: C12 H11 F N4 O2
• Calculated formula: C12 H11 F N4 O2
• Title of publication: <i>N</i>^6^-(4-Fluorobenzyl)-3-nitropyridine-2,6-diamine
• Authors of publication: Ge, Ji-long; Qian, Xiao-min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1481
• a: 14.8187 ± 0.0014 Å
• b: 5.9972 ± 0.0006 Å
• c: 14.884 ± 0.0015 Å
• α: 90°
• β: 109.827 ± 0.001°
• γ: 90°
• Cell volume: 1244.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes