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Information card for entry 2009073
Preview
| Coordinates | 2009073.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) methionine |
|---|---|
| Formula | C10 H15 N5 O4 S |
| Calculated formula | C10 H15 N5 O4 S |
| SMILES | N1C(=C(N=O)C(=O)N(C=1N[C@H](C(=O)O)CCSC)C)N |
| Title of publication | <i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)methionine |
| Authors of publication | Low, John N.; Godino, M. L.; López, Rafael; Pérez, Agustin; Melguizo, Manuel; Cobo, Justo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 1727 - 1730 |
| a | 9.0165 ± 0.0004 Å |
| b | 11.3057 ± 0.0003 Å |
| c | 13.4155 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1367.55 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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