Information card for entry 2206140

Structure parameters

• Chemical name: 5-Chloro-2-nitroaniline
• Formula: C6 H5 Cl N2 O2
• Calculated formula: C6 H5 Cl N2 O2
• SMILES: Clc1cc(N)c(N(=O)=O)cc1
• Title of publication: 5-Chloro-2-nitroaniline
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2299 - o2300
• a: 7.073 ± 0.003 Å
• b: 7.423 ± 0.003 Å
• c: 7.711 ± 0.003 Å
• α: 83.87 ± 0.03°
• β: 81.98 ± 0.03°
• γ: 62.24 ± 0.03°
• Cell volume: 354.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes