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Information card for entry 2242233
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| Coordinates | 2242233.cif |
|---|---|
| Structure factors | 2242233.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>'-{[1-(Pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide |
|---|---|
| Formula | C13 H13 N5 |
| Calculated formula | C13 H13 N5 |
| SMILES | c1cccc(/C(=N/N=C(N)/c2ccccn2)C)n1 |
| Title of publication | Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide |
| Authors of publication | Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 1021 - 1025 |
| a | 6.6899 ± 0.0005 Å |
| b | 18.93 ± 0.002 Å |
| c | 9.6561 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1222.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.083 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.828 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199196 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242232, 2242233 via cif-deposit CGI script. |
2242233.cif 2242233.hkl |
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Users of the data should acknowledge the original authors of the
structural data.