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Information card for entry 2214542
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| Coordinates | 2214542.cif |
|---|---|
| Structure factors | 2214542.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)acetamide |
|---|---|
| Formula | C8 H4 Cl5 N O |
| Calculated formula | C8 H4 Cl5 N O |
| SMILES | C(C(=O)Nc1c(cc(cc1)Cl)Cl)(Cl)(Cl)Cl |
| Title of publication | 2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)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 | o3391 - o3391 |
| a | 14.306 ± 0.002 Å |
| b | 8.625 ± 0.002 Å |
| c | 18.317 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2260.1 ± 0.8 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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