Information card for entry 2236108

Structure parameters

• Chemical name: Ethyl 2-benzenesulfonamido-4-methylpentanoate
• Formula: C14 H21 N O4 S
• Calculated formula: C14 H21 N O4 S
• SMILES: CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1)CC(C)C
• Title of publication: Ethyl 2-benzenesulfonamido-4-methylpentanoate
• Authors of publication: Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2874
• a: 5.3084 ± 0.0003 Å
• b: 9.5507 ± 0.0007 Å
• c: 31.315 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1587.64 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes