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Information card for entry 2242894
Preview
| Coordinates | 2242894.cif |
|---|---|
| Structure factors | 2242894.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-2-[1-Hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol |
|---|---|
| Formula | C20 H19 N3 O3 |
| Calculated formula | C20 H19 N3 O3 |
| SMILES | OC(Cc1ncccc1)c1cc(/N=N/c2ccc(OC)cc2)ccc1O |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[1-hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol |
| Authors of publication | Faizi, Md. Serajul Haque; Sen, Pratik; Saxena, Gyanesh Kumar; Golenya, Irina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 600 - 603 |
| a | 18.451 ± 0.005 Å |
| b | 8.169 ± 0.005 Å |
| c | 11.591 ± 0.005 Å |
| α | 90° |
| β | 100.059 ± 0.005° |
| γ | 90° |
| Cell volume | 1720.2 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0914 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242894.cif 2242894.hkl |
| 214581 | 2019-04-10 | cif/ hkl/ Adding structures of 2242894 via cif-deposit CGI script. |
2242894.cif 2242894.hkl |
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Users of the data should acknowledge the original authors of the
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