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Information card for entry 2011558
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| Coordinates | 2011558.cif |
|---|---|
| Structure factors | 2011558.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Anilino-3-nitropyridine |
|---|---|
| Formula | C11 H9 N3 O2 |
| Calculated formula | C11 H9 N3 O2 |
| SMILES | n1cc(N(=O)=O)c(cc1)Nc1ccccc1 |
| Title of publication | 4-Anilino-3-nitropyridine |
| Authors of publication | Lynch, Daniel E.; McClenaghan, Ian |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 11 |
| Pages of publication | e535 - e535 |
| a | 9.9036 ± 0.0002 Å |
| b | 19.9452 ± 0.0004 Å |
| c | 13.666 ± 0.0003 Å |
| α | 90° |
| β | 133.561 ± 0.001° |
| γ | 90° |
| Cell volume | 1956.12 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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