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Information card for entry 2203411
Preview
| Coordinates | 2203411.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-Benzoyl-N'-ethylthiourea |
|---|---|
| Formula | C10 H12 N2 O S |
| Calculated formula | C10 H12 N2 O S |
| SMILES | S=C(NC(=O)c1ccccc1)NCC |
| Title of publication | <i>N</i>-Benzoyl-<i>N</i>'-ethylthiourea |
| Authors of publication | Yamin, Bohari M.; Kassim, Mohammad; Yusof, M. Sukeri M.; Shah, Nabihah M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 4 |
| Pages of publication | o556 - o557 |
| a | 10.041 ± 0.005 Å |
| b | 9.389 ± 0.005 Å |
| c | 11.45 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1079.4 ± 1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.15 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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