Information card for entry 2225057

Structure parameters

• Common name: cis-2-Tosylaminocyclohexanol
• Chemical name: <i>cis</i>-<i>N</i>-(2-Hydroxycyclohexyl)-<i>p</i>-toluenesulfonamide cis-2-Tosylaminocyclohexanol
• Formula: C13 H19 N O3 S
• Calculated formula: C13 H19 N O3 S
• SMILES: O[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(cc1)C.O[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>cis</i>-<i>N</i>-(2-Hydroxycyclohexyl)-<i>p</i>-toluenesulfonamide
• Authors of publication: Fadlalla, Mohamed I.; Friedrich, Holger B.; Maguire, Glenn E. M.; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o463
• a: 6.3031 ± 0.0001 Å
• b: 12.8355 ± 0.0002 Å
• c: 17.5367 ± 0.0003 Å
• α: 106.645 ± 0.001°
• β: 93.971 ± 0.001°
• γ: 100.047 ± 0.001°
• Cell volume: 1327.75 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes