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Information card for entry 2206932
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| Coordinates | 2206932.cif |
|---|---|
| Structure factors | 2206932.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-(4-Chlorophenyl)-N'-(4-nitrobenzoyl)urea |
|---|---|
| Formula | C14 H10 Cl N3 O4 |
| Calculated formula | C14 H10 Cl N3 O4 |
| SMILES | Clc1ccc(NC(=O)NC(=O)c2ccc(N(=O)=O)cc2)cc1 |
| Title of publication | <i>N</i>-(4-Chlorophenyl)-<i>N</i>'-(4-nitrobenzoyl)urea |
| Authors of publication | Su, Bi-Quan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3492 - o3494 |
| a | 7.1737 ± 0.001 Å |
| b | 8.2486 ± 0.0012 Å |
| c | 12.1873 ± 0.0017 Å |
| α | 91.418 ± 0.002° |
| β | 106.157 ± 0.002° |
| γ | 99.4 ± 0.002° |
| Cell volume | 681.5 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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