Information card for entry 2231855

Structure parameters

• Common name: <i>N</i>-(2-Nitrooxyethyl)picolinamide
• Chemical name: <i>N</i>-(2-Nitrooxyethyl)pyridine-2-carboxamide
• Formula: C8 H9 N3 O4
• Calculated formula: C8 H9 N3 O4
• SMILES: O=C(NCCON(=O)=O)c1ncccc1
• Title of publication: <i>N</i>-(2-Nitrooxyethyl)picolinamide
• Authors of publication: Paixão, Drielly A.; Guilardi, Silvana; Fátima, Ângelo de; Araujo, Débora P.; Oliveira, Francinely C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2816
• a: 5.5075 ± 0.0002 Å
• b: 13.6114 ± 0.0005 Å
• c: 12.6822 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 950.72 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0496
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes