Information card for entry 2233318

Structure parameters

• Chemical name: <i>N</i>-[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-diazaspiro[4.5]dec-8-yl]- 2-methylbenzenesulfonamide
• Formula: C22 H24 F N3 O4 S
• Calculated formula: C22 H24 F N3 O4 S
• SMILES: S(=O)(=O)(NC1CCC2(NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1)c1c(cccc1)C
• Title of publication: <i>N</i>-[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-diazaspiro[4.5]dec-8-yl]-2-methylbenzenesulfonamide
• Authors of publication: Jeyaseelan, S.; Vinduvahini, M.; Madaiah, M.; Bhattacharya, Suman; Revanasiddappa, H. D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o105 - o106
• a: 5.8314 ± 0.0003 Å
• b: 26.3603 ± 0.0011 Å
• c: 13.8558 ± 0.0007 Å
• α: 90°
• β: 98.623 ± 0.005°
• γ: 90°
• Cell volume: 2105.8 ± 0.18 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: 0.0546
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes