Information card for entry 2231214

Structure parameters

• Common name: m-Nitroanilinium chloride
• Chemical name: 3-nitroanilinium chloride
• Formula: C6 H7 Cl N2 O2
• Calculated formula: C6 H7 Cl N2 O2
• SMILES: c1(cc(ccc1)[NH3+])N(=O)=O.[Cl-]
• Title of publication: A triclinic polymorph of 3-nitroanilinium chloride
• Authors of publication: Thangarasu, S.; Athimoolam, S.; Bahadur, S. Asath
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2124
• a: 6.9936 ± 0.0008 Å
• b: 7.8608 ± 0.0009 Å
• c: 14.6708 ± 0.0016 Å
• α: 87.079 ± 0.019°
• β: 81.813 ± 0.019°
• γ: 73.597 ± 0.017°
• Cell volume: 765.77 ± 0.17 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: 0.0422
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes