Information card for entry 2234806

Structure parameters

• Chemical name: 5-Chloro-2-nitrophenol
• Formula: C6 H4 Cl N O3
• Calculated formula: C6 H4 Cl N O3
• SMILES: Clc1ccc(N(=O)=O)c(O)c1
• Title of publication: 5-Chloro-2-nitrophenol
• Authors of publication: Ren, Dong-mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1365
• a: 7.539 ± 0.0015 Å
• b: 8.164 ± 0.0016 Å
• c: 13.132 ± 0.003 Å
• α: 94.75 ± 0.03°
• β: 96.48 ± 0.03°
• γ: 116.46 ± 0.03°
• Cell volume: 710.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes