Information card for entry 2228387

Structure parameters

• Chemical name: 4-Chloro-2,6-dinitrophenol
• Formula: C6 H3 Cl N2 O5
• Calculated formula: C6 H3 Cl N2 O5
• SMILES: Clc1cc(N(=O)=O)c(O)c(N(=O)=O)c1
• Title of publication: 4-Chloro-2,6-dinitrophenol
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3204
• a: 7.47 ± 0.0019 Å
• b: 5.8973 ± 0.0015 Å
• c: 9.952 ± 0.002 Å
• α: 90°
• β: 109.939 ± 0.006°
• γ: 90°
• Cell volume: 412.13 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes