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Information card for entry 2206741
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| Coordinates | 2206741.cif |
|---|---|
| Structure factors | 2206741.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Acetamido-4-nitrotoluene |
|---|---|
| Formula | C9 H10 N2 O3 |
| Calculated formula | C9 H10 N2 O3 |
| SMILES | c1(c(ccc(c1)N(=O)=O)C)NC(=O)C |
| Title of publication | 2-Acetamido-4-nitrotoluene |
| Authors of publication | Watkin, David J.; Motherwell, W. D. S.; Cooper, Richard I.; Pantos, Stefan; Steadman, Oliver I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2778 - o2780 |
| a | 8.2167 ± 0.0002 Å |
| b | 13.6406 ± 0.0003 Å |
| c | 8.7203 ± 0.0002 Å |
| α | 90° |
| β | 107.231 ± 0.0009° |
| γ | 90° |
| Cell volume | 933.51 ± 0.04 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for all reflections | 0.0977 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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