Information card for entry 2234221

Structure parameters

• Chemical name: 2-Amino-3-chloro-5-nitrobenzamide
• Formula: C7 H6 Cl N3 O3
• Calculated formula: C7 H6 Cl N3 O3
• SMILES: Clc1c(N)c(cc(N(=O)=O)c1)C(=O)N
• Title of publication: 2-Amino-3-chloro-5-nitrobenzamide
• Authors of publication: Wardell, James L.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o991
• a: 4.891 ± 0.009 Å
• b: 6.363 ± 0.013 Å
• c: 14.61 ± 0.03 Å
• α: 83.54 ± 0.11°
• β: 82.37 ± 0.11°
• γ: 73.64 ± 0.09°
• Cell volume: 431.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0965
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes