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Information card for entry 2101229
Preview
| Coordinates | 2101229.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C3 H3 N3 O2 |
|---|---|
| Calculated formula | C3 H4 N3 O2 |
| Title of publication | The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics) |
| Authors of publication | Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 6 |
| Pages of publication | 746 - 762 |
| a | 9.8831 ± 0.0007 Å |
| b | 9.6688 ± 0.0007 Å |
| c | 8.3417 ± 0.0004 Å |
| α | 81.139 ± 0.004° |
| β | 100.076 ± 0.004° |
| γ | 105.966 ± 0.006° |
| Cell volume | 749.81 ± 0.09 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | Cu |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.