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Information card for entry 2022215
Preview
| Coordinates | 2022215.cif |
|---|---|
| Structure factors | 2022215.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole |
|---|---|
| Formula | C10 H11 N5 O |
| Calculated formula | C10 H11 N5 O |
| SMILES | o1nc(nc1c1cccnc1NN)C1CC1 |
| Title of publication | Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole |
| Authors of publication | Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| a | 4.824 ± 0.0011 Å |
| b | 8.2685 ± 0.0019 Å |
| c | 26.527 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1058.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0909 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254703 (current) | 2020-07-31 | cif/ hkl/ Adding structures of 2022214, 2022215 via cif-deposit CGI script. |
2022215.cif 2022215.hkl |
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Users of the data should acknowledge the original authors of the
structural data.