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Information card for entry 1559332
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| Coordinates | 1559332.cif |
|---|---|
| Structure factors | 1559332.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Pyridine-4-carboxamidoxime <i>N</i>-oxide |
|---|---|
| Chemical name | (<i>Z</i>)-4-(<i>N</i>'-Hydroxycarbamimidoyl)pyridine <i>N</i>-oxide |
| Formula | C6 H7 N3 O2 |
| Calculated formula | C6 H7 N3 O2 |
| SMILES | n1(ccc(cc1)/C(N)=N/O)=O |
| Title of publication | Pyridine-4-carboxamidoxime <i>N</i>-oxide |
| Authors of publication | Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | x201335 |
| a | 7.413 ± 0.0008 Å |
| b | 9.2858 ± 0.0007 Å |
| c | 10.1238 ± 0.001 Å |
| α | 90° |
| β | 102.841 ± 0.01° |
| γ | 90° |
| Cell volume | 679.45 ± 0.12 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559332.cif 1559332.hkl |
| 258303 | 2020-10-10 | cif/ hkl/ Adding structures of 1559332 via cif-deposit CGI script. |
1559332.cif 1559332.hkl |
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.