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Information card for entry 7061906
Preview
| Coordinates | 7061906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ethyl-6-fluoro-3-hydroxypyrazine-2-carboxylate |
|---|---|
| Formula | C7 H7 F N2 O3 |
| Calculated formula | C7 H7 F N2 O3 |
| SMILES | Fc1nc(c(O)nc1)C(=O)OCC |
| Title of publication | A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour |
| Authors of publication | Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 39 |
| Pages of publication | 18824 - 18831 |
| a | 20.262 ± 0.0005 Å |
| b | 4.7248 ± 0.0001 Å |
| c | 16.6253 ± 0.0004 Å |
| α | 90° |
| β | 90.48 ± 0.002° |
| γ | 90° |
| Cell volume | 1591.55 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279014 (current) | 2022-11-07 | cif/ Updating files of 7061906, 7061907, 7061908, 7061909, 7061910, 7061911, 7061912, 7061913 Original log message: Adding full bibliography for 7061906--7061913.cif. |
7061906.cif |
| 278055 | 2022-09-22 | cif/ Adding structures of 7061906, 7061907, 7061908, 7061909, 7061910, 7061911, 7061912, 7061913 via cif-deposit CGI script. |
7061906.cif |
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Users of the data should acknowledge the original authors of the
structural data.