Information card for entry 2233259

Structure parameters

• Chemical name: <i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan- 7-yl}-4-methoxybenzenesulfonamide
• Formula: C23 H26 F N3 O6 S
• Calculated formula: C23 H26 F N3 O6 S
• SMILES: S(=O)(=O)(N[C@H]1CCC[C@]2(NC(=O)N(C2=O)CCOc2ccc(F)cc2)C1)c1ccc(OC)cc1.S(=O)(=O)(N[C@@H]1CCC[C@@]2(NC(=O)N(C2=O)CCOc2ccc(F)cc2)C1)c1ccc(OC)cc1
• Title of publication: <i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl}-4-methoxybenzenesulfonamide
• Authors of publication: Vinduvahini, M.; Jeyaseelan, S.; Shylajakumari, J.; Revanasiddappa, H. D.; Devaru, Venkatesh B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o194 - o195
• a: 11.926 ± 0.005 Å
• b: 11.025 ± 0.005 Å
• c: 18.508 ± 0.005 Å
• α: 90°
• β: 97.271 ± 0.005°
• γ: 90°
• Cell volume: 2413.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes