Information card for entry 4027218

Structure parameters

• Common name: Indoline
• Formula: C22 H19 N O3 S
• Calculated formula: C22 H19 N O3 S
• SMILES: S(=O)(=O)(c1ccc(C)cc1)N1/C(=C/c2ccccc2)C(c2c1cccc2)O
• Title of publication: Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines
• Authors of publication: Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5108 - 5119
• a: 6.4296 ± 0.001 Å
• b: 11.576 ± 0.002 Å
• c: 13.443 ± 0.003 Å
• α: 88.587 ± 0.011°
• β: 77.275 ± 0.009°
• γ: 75.406 ± 0.01°
• Cell volume: 944 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.717
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No