Information card for entry 2006768

Structure parameters

• Chemical name: N-4-Nitrophenyl-trans-2-aminocyclohexanol
• Formula: C12 H16 N2 O3
• Calculated formula: C12 H16 N2 O3
• SMILES: O=N(=O)c1ccc(N[C@@H]2CCCC[C@H]2O)cc1.O=N(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)cc1
• Title of publication: <i>N</i>-(4-Nitrophenyl)-<i>trans</i>-2-aminocyclohexanol
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1865 - 1867
• a: 18.703 ± 0.002 Å
• b: 9.955 ± 0.001 Å
• c: 15.016 ± 0.001 Å
• α: 90°
• β: 122.3 ± 0.01°
• γ: 90°
• Cell volume: 2363.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for all reflections: 0.817
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No