Information card for entry 2241352

Structure parameters

• Chemical name: <i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide
• Formula: C15 H24 N2 O2 S
• Calculated formula: C15 H24 N2 O2 S
• SMILES: S(=O)(=O)(N[C@@H]1[C@@H](N)CCCC1)c1c(cc(cc1C)C)C
• Title of publication: Crystal structure of <i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide
• Authors of publication: Ngassa, Felix N.; Biros, Shannon M.; Staples, Richard J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1521 - 1524
• a: 6.5215 ± 0.0004 Å
• b: 10.0202 ± 0.0006 Å
• c: 23.366 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1526.89 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0305
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes