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Information card for entry 2205115
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| Coordinates | 2205115.cif |
|---|---|
| Structure factors | 2205115.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-Methyl-1H-indazole |
|---|---|
| Formula | C8 H8 N2 |
| Calculated formula | C8 H8 N2 |
| SMILES | [nH]1ncc2cccc(c12)C |
| Title of publication | Hydrogen-bonded networks in 1<i>H</i>-indazoles: the case of 7-methyl-1<i>H</i>-indazole |
| Authors of publication | Foces-Foces, C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | o337 - o339 |
| a | 12.0013 ± 0.0011 Å |
| b | 11.1465 ± 0.0011 Å |
| c | 5.2327 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 699.99 ± 0.11 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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