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Information card for entry 2003614
Preview
| Coordinates | 2003614.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H12 N4 O2 S |
|---|---|
| Calculated formula | C12 H12 N4 O2 S |
| Title of publication | 6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine |
| Authors of publication | Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1392 - 1394 |
| a | 5.335 ± 0.002 Å |
| b | 10.625 ± 0.002 Å |
| c | 11.886 ± 0.002 Å |
| α | 109.36 ± 0.02° |
| β | 96.47 ± 0.02° |
| γ | 90.56 ± 0.02° |
| Cell volume | 630.8 ± 0.3 Å3 |
| Cell temperature | 298 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 significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Goodness-of-fit parameter for significantly intense reflections | 1.11 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.