Information card for entry 2019313

Structure parameters

• Common name: sodium 4-nitroanthranilate dihydrate
• Chemical name: Poly[μ-aqua-aqua(μ~3~-2-amino-4-nitrobenzoato)sodium(I)]
• Formula: C7 H9 N2 Na O6
• Calculated formula: C7 H9 N2 Na O6
• SMILES: [Na+].O.O.[O-]C(=O)c1c(N)cc(N(=O)=O)cc1
• Title of publication: Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1472 - 1477
• a: 6.611 ± 0.0006 Å
• b: 6.9443 ± 0.0007 Å
• c: 11.7453 ± 0.0011 Å
• α: 75.054 ± 0.008°
• β: 85.243 ± 0.007°
• γ: 67.249 ± 0.009°
• Cell volume: 480.35 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0509
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No