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Information card for entry 2008451
Preview
| Coordinates | 2008451.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-amino-4-phenylthiazole |
|---|---|
| Formula | C9 H8 N2 S |
| Calculated formula | C9 H8 N2 S |
| SMILES | s1c(nc(c1)c1ccccc1)N |
| Title of publication | 2-Amino-4-phenylthiazole |
| Authors of publication | Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 821 - 823 |
| a | 12.105 ± 0.003 Å |
| b | 12.105 ± 0.003 Å |
| c | 5.776 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 846.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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