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Information card for entry 2244206
Preview
| Coordinates | 2244206.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H19 N3 O8 S |
|---|---|
| Calculated formula | C12 H19 N3 O8 S |
| SMILES | S(=O)(=O)(OC[C@]12OC[C@H]3OC(O[C@H]3[C@@H]2OC(O1)(C)C)(C)C)N=N#N |
| Title of publication | Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K |
| Authors of publication | Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 10 |
| Pages of publication | 984 - 988 |
| a | 8.0717 ± 0.0008 Å |
| b | 9.1135 ± 0.0012 Å |
| c | 22.506 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1655.6 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0386 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.