Information card for entry 2235544

Structure parameters

• Chemical name: <i>N</i>-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide
• Formula: C14 H20 N2 O2 S
• Calculated formula: C14 H20 N2 O2 S
• SMILES: S(=O)(=O)(N[C@@H]1[C@H](N)[C@H]2C[C@@H]1CC2)c1ccc(cc1)C
• Title of publication: <i>N</i>-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide
• Authors of publication: Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2032
• a: 10.1715 ± 0.0002 Å
• b: 6.1169 ± 0.0001 Å
• c: 11.515 ± 0.0003 Å
• α: 90°
• β: 110.332 ± 0.002°
• γ: 90°
• Cell volume: 671.8 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes