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Information card for entry 2022737
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| Coordinates | 2022737.cif |
|---|---|
| Structure factors | 2022737.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Fluoro-1<i>H</i>-pyrazole |
|---|---|
| Formula | C3 H3 F N2 |
| Calculated formula | C3 H3 F N2 |
| Title of publication | Crystal and mol-ecular structure of 4-fluoro-1<i>H</i>-pyrazole at 150 K. |
| Authors of publication | Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 5 |
| Pages of publication | 428 - 431 |
| a | 5.6045 ± 0.0002 Å |
| b | 7.4315 ± 0.0003 Å |
| c | 9.5396 ± 0.0004 Å |
| α | 71.689 ± 0.002° |
| β | 87.731 ± 0.002° |
| γ | 84.968 ± 0.002° |
| Cell volume | 375.72 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284386 (current) | 2023-06-06 | cif/ Updating files of 2022737 Original log message: Adding full bibliography for 2022737.cif. |
2022737.cif 2022737.hkl |
| 282498 | 2023-04-07 | cif/ hkl/ Adding structures of 2022737 via cif-deposit CGI script. |
2022737.cif 2022737.hkl |
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Users of the data should acknowledge the original authors of the
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