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CIF Information Card
Information card for 2015312
2015311 << 2015312 >> 2015313Preview
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Coordinates |
2015312.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | N-(2-Methoxy-6-oxopyrimidin-4-yl)formamide |
| Formula | - C6 H7 N3 O3 - |
| Calculated formula | - C6 H7 N3 O3 - |
| Title of publication | <i>N</i>-(2-Methoxy-6-oxopyrimidin-4-yl)formamide: hydrogen-bonded sheets of centrosymmetric <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(28) rings |
| Authors of publication | Torre, José M. de la; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o256 - o258 |
| a | 7.0515 ± 0.0007 Å |
| b | 9.0031 ± 0.0012 Å |
| c | 11.237 ± 0.002 Å |
| α | 90° |
| β | 93.69 ± 0.011° |
| γ | 90° |
| Cell volume | 711.91 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.1286 |
| Residual factor for observed reflections | 0.0511 |
| Weighted residual factors for the observed reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for observed reflections | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |