Information card for entry 2223205

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dioxo-1,3-thiazolidin-3-yl)-2-(4-isobutylphenyl)propanamide
• Formula: C16 H20 N2 O3 S
• Calculated formula: C16 H20 N2 O3 S
• SMILES: S1C(=O)N(NC(=O)C(c2ccc(cc2)CC(C)C)C)C(=O)C1
• Title of publication: <i>N</i>-(2,4-Dioxo-1,3-thiazolidin-3-yl)-2-(4-isobutylphenyl)propanamide
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Vinayaka, A. C.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2094
• a: 9.7305 ± 0.0001 Å
• b: 11.3991 ± 0.0002 Å
• c: 29.6323 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3286.78 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes