Information card for entry 2004373

Structure parameters

• Formula: C12 H11 N3 O5
• Calculated formula: C12 H11 N3 O5
• SMILES: n1(=O)ccc(cc1)N(=O)=O.C(=O)(c1ccc(cc1)N)O
• Title of publication: The 1:1 Complex Formed by 4-Nitropyridine <i>N</i>-Oxide and 4-Aminobenzoic Acid
• Authors of publication: Moreno Fuquen, R.; De Almeida Santos, R. H.; Lechat, J. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 220 - 222
• a: 7.0549 ± 0.001 Å
• b: 12.4741 ± 0.001 Å
• c: 14.1928 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1249 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.1134
• Goodness-of-fit parameter for all reflections: 1.83
• Goodness-of-fit parameter for significantly intense reflections: 1.796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No