Information card for entry 2209590

Structure parameters

• Chemical name: 4-[2-(3-Ethyl-4-methyl-2-oxo-3-pyrrolidine-1- carboxamido)ethyl]benzenesulfonamide
• Formula: C16 H21 N3 O4 S
• Calculated formula: C16 H21 N3 O4 S
• SMILES: S(=O)(=O)(N)c1ccc(CCNC(=O)N2C(=O)C(=C(C2)C)CC)cc1
• Title of publication: 4-[2-(3-Ethyl-4-methyl-2-oxo-3-pyrrolidine-1-carboxamido)ethyl]benzenesulfonamide
• Authors of publication: Xiang Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3019 - o3020
• a: 8.2325 ± 0.0011 Å
• b: 14.2854 ± 0.0018 Å
• c: 14.8231 ± 0.0019 Å
• α: 90°
• β: 93.474 ± 0.002°
• γ: 90°
• Cell volume: 1740.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes