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Information card for entry 2243191
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| Coordinates | 2243191.cif |
|---|---|
| Structure factors | 2243191.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,3'-Bipyridine-2',6'-dicarbonitrile |
|---|---|
| Formula | C12 H6 N4 |
| Calculated formula | C12 H6 N4 |
| SMILES | n1c(c(ccc1C#N)c1ncccc1)C#N |
| Title of publication | Crystal structure of 2,3'-bipyridine-2',6'-dicarbonitrile |
| Authors of publication | Jung, Seoulgi; Park, Ki-Min; Kim, Jinho; Kang, Youngjin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 9 |
| Pages of publication | 1272 - 1275 |
| a | 22.5144 ± 0.0005 Å |
| b | 13.1601 ± 0.0003 Å |
| c | 13.2652 ± 0.0003 Å |
| α | 90° |
| β | 93.4509 ± 0.0011° |
| γ | 90° |
| Cell volume | 3923.24 ± 0.15 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227659 (current) | 2019-11-12 | cif/ hkl/ Adding structures of 2243191 via cif-deposit CGI script. |
2243191.cif 2243191.hkl |
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