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Information card for entry 2020002
Preview
| Coordinates | 2020002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 6-((2-(pyridin-2-yl)hydrazono)methyl)pyridin-2-yl)methanol |
|---|---|
| Formula | C12 H12 N4 O |
| Calculated formula | C12 H12 N4 O |
| SMILES | C(c1cccc(/C=N/Nc2ccccn2)n1)O |
| Title of publication | Synthesis and characterization of (6-{[2-(pyridin-2-yl)hydrazinylidene]methyl}pyridin-2-yl)methanol: a supramolecular and topological study |
| Authors of publication | Soto-Monsalve, Monica; Cabrera-Espinoza, Andrea; Grande, Carlos D.; D'Vries, Richard F.; Chaur, Manuel N. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 631 - 635 |
| a | 23.461 ± 0.005 Å |
| b | 5.5965 ± 0.0013 Å |
| c | 17.068 ± 0.003 Å |
| α | 90° |
| β | 96.544 ± 0.013° |
| γ | 90° |
| Cell volume | 2226.4 ± 0.8 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0929 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020002.cif |
| 171462 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 2. |
2020002.cif |
| 139726 | 2015-06-28 | cif/ hkl/ Adding structures of 2020002 via cif-deposit CGI script. |
2020002.cif |
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Users of the data should acknowledge the original authors of the
structural data.