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Information card for entry 2020828
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| Coordinates | 2020828.cif |
|---|---|
| Structure factors | 2020828.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>^2^,<i>N</i>^3^-Bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide |
|---|---|
| Formula | C18 H20 N6 O4 |
| Calculated formula | C18 H20 N6 O4 |
| SMILES | O=C(NCc1ccncc1)c1nccnc1C(=O)NCc1ccncc1.O.O |
| Title of publication | Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer |
| Authors of publication | Cati, Dilovan S.; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 798 |
| a | 4.3677 ± 0.0006 Å |
| b | 14.0232 ± 0.0012 Å |
| c | 15.1816 ± 0.0018 Å |
| α | 90° |
| β | 96.153 ± 0.016° |
| γ | 90° |
| Cell volume | 924.5 ± 0.19 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.767 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199112 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020828, 2020829 via cif-deposit CGI script. |
2020828.cif 2020828.hkl |
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Users of the data should acknowledge the original authors of the
structural data.