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Information card for entry 2214544
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| Coordinates | 2214544.cif |
|---|---|
| Structure factors | 2214544.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Chloroacetanilide |
|---|---|
| Chemical name | <i>N</i>-(4-Chlorophenyl)acetamide |
| Formula | C8 H8 Cl N O |
| Calculated formula | C8 H8 Cl N O |
| SMILES | Clc1ccc(NC(=O)C)cc1 |
| Title of publication | <i>N</i>-(4-Chlorophenyl)acetamide: a redetermination |
| 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 | o3392 - o3392 |
| a | 9.7163 ± 0.0007 Å |
| b | 12.8528 ± 0.0009 Å |
| c | 6.5282 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 815.25 ± 0.11 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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