Information card for entry 7221598

Structure parameters

• Formula: C19 H22 N2 O3 S
• Calculated formula: C19 H22 N2 O3 S
• SMILES: C1CN(CCO1)S(c1ccccc1)(=N/C=C/c1ccc(cc1)OC)=O
• Title of publication: Pd-catalyzed C‒N coupling of vinylbromides and sulfonimidamides: a facile synthesis of N′-vinylsulfonimidamides
• Authors of publication: Nandi, Ganesh C.; Kota, Sudhakar R.; Wakchaure, Prasad B.; Chinthakindi, Praveen K.; Govender, Thavendran; Kruger, Hendrick G.; Naicker, Tricia; Arvidsson, Per I.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 76
• Pages of publication: 62084
• a: 29.16 ± 0.004 Å
• b: 29.16 ± 0.004 Å
• c: 8.7046 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7402 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No