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Information card for entry 2243903
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| Coordinates | 2243903.cif |
|---|---|
| Structure factors | 2243903.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Chloro-1<i>H</i>-pyrazole |
|---|---|
| Formula | C3 H3 Cl N2 |
| Calculated formula | C3 H3 Cl N2 |
| Title of publication | Low-temperature crystal structure of 4-chloro-1<i>H</i>-pyrazole |
| Authors of publication | Rue, Kelly; Raptis, Raphael G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| Pages of publication | 1 - 0 |
| a | 14.9122 ± 0.001 Å |
| b | 17.641 ± 0.0009 Å |
| c | 4.9878 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1312.12 ± 0.14 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268200 (current) | 2021-08-25 | cif/ hkl/ Adding structures of 2243903 via cif-deposit CGI script. |
2243903.cif 2243903.hkl |
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Users of the data should acknowledge the original authors of the
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