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Information card for entry 2200042
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| Coordinates | 2200042.cif |
|---|---|
| Structure factors | 2200042.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Methoxy-3-nitropyridinium chloride |
|---|---|
| Formula | C6 H7 Cl N2 O3 |
| Calculated formula | C6 H7 Cl N2 O3 |
| SMILES | [Cl-].[nH+]1cc(N(=O)=O)c(OC)cc1 |
| Title of publication | 4-Methoxy-3-nitropyridinium chloride |
| Authors of publication | Lynch, Daniel E.; McClenaghan, Ian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | o83 - o84 |
| a | 10.6185 ± 0.0004 Å |
| b | 7.1517 ± 0.0004 Å |
| c | 11.3701 ± 0.0005 Å |
| α | 90° |
| β | 111.523 ± 0.003° |
| γ | 90° |
| Cell volume | 803.24 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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