Information card for entry 1547875

Structure parameters

• Formula: C20 H20 N2 O2 S
• Calculated formula: C20 H20 N2 O2 S
• SMILES: CCc1ccc(cc1)Nc1ccc(cn1)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides.
• Authors of publication: Ramesh, Balu; Jeganmohan, Masilamani
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 6000 - 6003
• a: 14.8321 ± 0.0007 Å
• b: 8.4143 ± 0.0003 Å
• c: 29.8348 ± 0.0012 Å
• α: 90°
• β: 97.4759 ± 0.0019°
• γ: 90°
• Cell volume: 3691.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No