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Information card for entry 2008479
Preview
| Coordinates | 2008479.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C16 H14 N2 O3 |
|---|---|
| Calculated formula | C16 H14 N2 O3 |
| SMILES | c1(ccccc1)/C=C/C(=O)N(C)c1ccccc1N(=O)=O |
| Title of publication | <i>N</i>-Methyl-2'-nitrocinnamanilide |
| Authors of publication | Subramanian, E.; Renganayaki, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 764 - 766 |
| a | 10.387 ± 0.001 Å |
| b | 10.248 ± 0.001 Å |
| c | 13.857 ± 0.003 Å |
| α | 90° |
| β | 107.54 ± 0.02° |
| γ | 90° |
| Cell volume | 1406.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections | 0.124 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Goodness-of-fit parameter for all reflections | 1.029 |
| Goodness-of-fit parameter for significantly intense reflections | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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