Information card for entry 2243428

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Diisopropyl-4-methylbenzenesulfonamide
• Formula: C13 H21 N O2 S
• Calculated formula: C13 H21 N O2 S
• SMILES: S(=O)(=O)(N(C(C)C)C(C)C)c1ccc(cc1)C
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>-diisopropyl-4-methylbenzenesulfonamide
• Authors of publication: Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1018 - 1021
• a: 12.87828 ± 0.00018 Å
• b: 6.88418 ± 0.0001 Å
• c: 16.208 ± 0.0002 Å
• α: 90°
• β: 108.151 ± 0.0008°
• γ: 90°
• Cell volume: 1365.44 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.98 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes