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CIF Information Card
Information card for 2015358
2015357 << 2015358 >> 2015359Preview
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Coordinates |
2015358.cif |
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Structure factors |
2015358.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | (1-thyminyl)acetamide |
| Chemical name | (1-thyminyl)acetamide(5-methyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)acetamide |
| Formula | - C7 H9 N3 O3 - |
| Calculated formula | - C7 H9 N3 O3 - |
| Title of publication | Molecular packing in (5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide |
| Authors of publication | Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o344 - o345 |
| a | 8.0388 ± 0.0001 Å |
| b | 6.1476 ± 0.0001 Å |
| c | 15.839 ± 0.0001 Å |
| α | 90° |
| β | 92.923 ± 0.001° |
| γ | 90° |
| Cell volume | 781.74 ± 0.02 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for observed reflections | 0.0363 |
| Weighted residual factors for the observed reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for observed reflections | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |