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CIF Information Card
Information card for 2015278
2015277 << 2015278 >> 2015279Preview
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Coordinates |
2015278.cif |
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Structure factors |
2015278.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 7-Amino-2,5-dimethylpyrazolo[1,5-a]pyrimidine hemihydrate |
| Formula | - C8 H11 N4 O0.5 - |
| Calculated formula | - C8 H11 N4 O0.5 - |
| Title of publication | 7-Amino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine hemihydrate redetermined at 120 K: a three-dimensional hydrogen-bonded framework |
| Authors of publication | Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o186 - o189 |
| a | 16.0851 ± 0.0005 Å |
| b | 7.9458 ± 0.0003 Å |
| c | 8.0003 ± 0.0003 Å |
| α | 90° |
| β | 117.309 ± 0.002° |
| γ | 90° |
| Cell volume | 908.55 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2 1 |
| Hall symmetry space group | C 2y |
| Residual factor for all reflections | 0.0372 |
| Residual factor for observed reflections | 0.0335 |
| Weighted residual factors for the observed reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for observed reflections | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |