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Information card for entry 2214533
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| Coordinates | 2214533.cif |
|---|---|
| Structure factors | 2214533.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-<i>N</i>-(3-nitrophenyl)acetamide |
|---|---|
| Formula | C8 H7 Cl N2 O3 |
| Calculated formula | C8 H7 Cl N2 O3 |
| SMILES | C(C(=O)Nc1cc(ccc1)N(=O)=O)Cl |
| Title of publication | 2-Chloro-<i>N</i>-(3-nitrophenyl)acetamide |
| Authors of publication | B. Thimme Gowda; Sabine Foro; Hartmut Fuess |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3364 - o3364 |
| a | 4.999 ± 0.002 Å |
| b | 4.999 ± 0.002 Å |
| c | 35.876 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 896.5 ± 0.5 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.0711 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1668 |
| Weighted residual factors for all reflections included in the refinement | 0.1876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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