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Information card for entry 2206875
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| Coordinates | 2206875.cif |
|---|---|
| Structure factors | 2206875.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-(2-Bromophenyl)propionamide |
|---|---|
| Formula | C9 H10 Br N O |
| Calculated formula | C9 H10 Br N O |
| SMILES | c1(ccccc1NC(=O)CC)Br |
| Title of publication | <i>N</i>-(2-Bromophenyl)propionamide |
| Authors of publication | Ronaldson, Vicki; Storey, John. M. D.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3200 - o3202 |
| a | 4.8701 ± 0.0001 Å |
| b | 11.8048 ± 0.0004 Å |
| c | 15.9296 ± 0.0005 Å |
| α | 90° |
| β | 93.964 ± 0.002° |
| γ | 90° |
| Cell volume | 913.61 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.034 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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