Information card for entry 2212999

Structure parameters

• Chemical name: N-(2-Aminophenyl)-1-[(1S,2R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept- 1-yl]methanesulfonamide
• Formula: C16 H24 N2 O3 S
• Calculated formula: C16 H24 N2 O3 S
• SMILES: S(=O)(=O)(Nc1c(N)cccc1)C[C@@]12[C@H](O)C[C@@H](CC1)C2(C)C
• Title of publication: <i>N</i>-(2-Aminophenyl)-1-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methanesulfonamide, a new ligand for asymmetric transfer hydrogenation
• Authors of publication: Maurin, Jan K.; Krukowski, Andrzej; Czarnocki, Zbigniew
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1593 - o1595
• a: 6.978 ± 0.0014 Å
• b: 9.584 ± 0.0019 Å
• c: 24.478 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1637 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes