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Information card for entry 7228679
Preview
| Coordinates | 7228679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-(Diethylamino)-6-phenylpyridine-3,4-dicarbonitrile |
|---|---|
| Formula | C17 H16 N4 |
| Calculated formula | C17 H16 N4 |
| SMILES | n1c(N(CC)CC)c(c(cc1c1ccccc1)C#N)C#N |
| Title of publication | Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives |
| Authors of publication | Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A. |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 55 |
| Pages of publication | 34886 |
| a | 7.3536 ± 0.0004 Å |
| b | 15.72 ± 0.001 Å |
| c | 13.263 ± 0.0007 Å |
| α | 90° |
| β | 97.68 ± 0.004° |
| γ | 90° |
| Cell volume | 1519.43 ± 0.15 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1597 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.655 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228679.cif |
| 198717 | 2017-07-14 | cif/ Adding structures of 7228679, 7228680, 7228681, 7228682 via cif-deposit CGI script. |
7228679.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.