Information card for entry 2007166

Structure parameters

• Formula: C11 H10 N2 O4
• Calculated formula: C11 H10 N2 O4
• SMILES: Oc1ccc(N(=O)=O)cc1.O=n1ccccc1
• Title of publication: Pyridine <i>N</i>-Oxide and 4-Nitrophenol (1:1 Complex)
• Authors of publication: Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Francisco, Regina Helena Porto
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 513 - 515
• a: 7.983 ± 0.004 Å
• b: 6.054 ± 0.003 Å
• c: 22.595 ± 0.001 Å
• α: 90°
• β: 95.74 ± 0.01°
• γ: 90°
• Cell volume: 1086.5 ± 0.8 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 253 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.0995
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No