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Information card for entry 8106992
Preview
| Coordinates | 8106992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 N5 |
|---|---|
| Calculated formula | C15 H9 N5 |
| SMILES | n1ccccc1c1nnc(c(c1)C#N)c1ncccc1 |
| Title of publication | Crystal structure of 3,6-di-2-pyridinyl-4-pyridazine carbonitrile, C15H9N5 |
| Authors of publication | Gichumbi, Joel M.; Friedrich, Holger B.; Omondi, Bernard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 741 - 743 |
| a | 8.9817 ± 0.0014 Å |
| b | 11.5791 ± 0.0019 Å |
| c | 12.065 ± 0.002 Å |
| α | 90° |
| β | 102.289 ± 0.004° |
| γ | 90° |
| Cell volume | 1226 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282199 (current) | 2023-04-03 | cif/ Adding structures of 8106992 via cif-deposit CGI script. |
8106992.cif |
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