Information card for entry 2205237

Structure parameters

• Chemical name: 2-Benzyloxy-3-nitropyridine
• Formula: C12 H10 N2 O3
• Calculated formula: C12 H10 N2 O3
• SMILES: O=N(=O)c1cccnc1OCc1ccccc1
• Title of publication: 2-Benzyloxy-3-nitropyridine
• Authors of publication: Cui, Yu; Liu, Hui-Min; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o685 - o686
• a: 7.374 ± 0.002 Å
• b: 7.707 ± 0.002 Å
• c: 10.928 ± 0.003 Å
• α: 83.34 ± 0.004°
• β: 82.215 ± 0.004°
• γ: 63.269 ± 0.003°
• Cell volume: 548.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes