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CIF Information Card
Information card for 1101090
1101089 << 1101090 >> 1101091Preview
|
Coordinates |
1101090.cif |
Structure parameters
| Formula | - C5 H5 N4 O1.5 - |
| Calculated formula | - C5 H5 N4 O1.25 - |
| Title of publication | 5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study |
| Authors of publication | Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure |
| Journal of publication | Journal of Molecular Structure |
| Year of publication | 2000 |
| Journal volume | 519 |
| Pages of publication | 165 - 172 |
| a | 28.836 ± 0.003 Å |
| b | 3.6902 ± 0.0002 Å |
| c | 12.116 ± 0.001 Å |
| α | 90° |
| β | 109.763 ± 0.003° |
| γ | 90° |
| Cell volume | 1213.3 ± 0.5 Å3 |
| Cell temperature | 253 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for observed reflections | 0.036 |
| Weighted residual factors for the observed reflections | 0.037 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |