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Information card for entry 2205237
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| Coordinates | 2205237.cif |
|---|---|
| Structure factors | 2205237.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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