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Information card for entry 8106280
Preview
| Coordinates | 8106280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H19 I N2 |
|---|---|
| Calculated formula | C11 H19 I N2 |
| SMILES | [I-].[n+]1(ncccc1)CCCCCCC |
| Title of publication | Crystal structure of 1-heptylpyridazin-1-ium iodide, C11H19N2I |
| Authors of publication | Said, Musa A.; Aouad, Mohamed R.; Almutairi, Saud M.; Hughes, David L.; Messali, Mouslim |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 739 - 741 |
| a | 5.7074 ± 0.0003 Å |
| b | 8.9811 ± 0.0005 Å |
| c | 14.4312 ± 0.0008 Å |
| α | 100.989 ± 0.004° |
| β | 94.768 ± 0.004° |
| γ | 97.327 ± 0.004° |
| Cell volume | 715.83 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279601 (current) | 2022-11-28 | cif/ Adding structures of 8106280 via cif-deposit CGI script. |
8106280.cif |
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Users of the data should acknowledge the original authors of the
structural data.