Information card for entry 2244206

Structure parameters

• 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 ų
• 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