Information card for entry 2010640

Structure parameters

• Chemical name: 1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine N-oxide
• Formula: C12 H9 N3 O7
• Calculated formula: C12 H9 N3 O7
• SMILES: O=n1ccc(N(=O)=O)cc1.O=C(O)c1ccc(N(=O)=O)cc1
• Title of publication: 1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine <i>N</i>-oxide
• Authors of publication: Moreno-Fuquen, Rodolfo; Ribeiro de Castro, Eustaquio Vinicius; Moreno, Margarita; De Almeida Santos, Regina Helena; Montaño, Angela Marcela
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 206 - 207
• a: 6.221 ± 0.001 Å
• b: 22.263 ± 0.001 Å
• c: 9.411 ± 0.001 Å
• α: 90°
• β: 97.3 ± 0.02°
• γ: 90°
• Cell volume: 1292.8 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.094
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes