Information card for entry 1547874

Structure parameters

• Formula: C19 H18 N2 O2 S
• Calculated formula: C19 H18 N2 O2 S
• SMILES: c1cc(ccc1Nc1ccc(cn1)S(=O)(=O)c1ccc(cc1)C)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: 14.3 ± 0.0005 Å
• b: 8.3251 ± 0.0003 Å
• c: 29.9248 ± 0.001 Å
• α: 90°
• β: 99.0075 ± 0.0015°
• γ: 90°
• Cell volume: 3518.6 ± 0.2 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: 0.0728
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No