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Information card for entry 2200010
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| Coordinates | 2200010.cif |
|---|---|
| Structure factors | 2200010.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole |
|---|---|
| Formula | C12 H12 N2 O S |
| Calculated formula | C12 H12 N2 O S |
| SMILES | s1c(Nc2ccccc2)nc(c1C(=O)C)C |
| Title of publication | 5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole |
| Authors of publication | Kasim, Noor Azilah M.; Yamin, Bohari M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | o3794 - o3795 |
| a | 12.932 ± 0.006 Å |
| b | 7.532 ± 0.003 Å |
| c | 24.322 ± 0.011 Å |
| α | 90° |
| β | 101.236 ± 0.009° |
| γ | 90° |
| Cell volume | 2323.6 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.098 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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