Information card for entry 2222717

Structure parameters

• Chemical name: 3-(4-Chlorophenylsulfonyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Formula: C15 H17 Cl N2 O4 S
• Calculated formula: C15 H17 Cl N2 O4 S
• SMILES: S(=O)(=O)(N1C(=O)C2(NC1=O)CCC(CC2)C)c1ccc(Cl)cc1
• Title of publication: 3-(4-Chlorophenylsulfonyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Authors of publication: Kashif, M. Kalim; Khawar Rauf, M.; Bolte, Michael; Hameed, Shahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1893
• a: 6.1722 ± 0.0004 Å
• b: 17.4561 ± 0.0012 Å
• c: 15.1355 ± 0.0009 Å
• α: 90°
• β: 94.46 ± 0.005°
• γ: 90°
• Cell volume: 1625.8 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes