Information card for entry 7109344

Structure parameters

• Formula: C14 H12 N2 O5 S
• Calculated formula: C14 H12 N2 O5 S
• SMILES: S(=O)(=O)(c1ccc(cc1)N(=O)=O)Nc1c(C(=O)C)cccc1
• Title of publication: Ru(II)-catalyzed intermolecular ortho-C-H amidation of aromatic ketones with sulfonyl azides
• Authors of publication: M. Bhanuchandra; M. Ramu Yadav; Raja K. Rit; Malleswara Rao Kuram; Akhila K. Sahoo
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5225
• a: 7.7099 ± 0.0016 Å
• b: 8.2501 ± 0.0017 Å
• c: 11.659 ± 0.002 Å
• α: 99.961 ± 0.003°
• β: 101.13 ± 0.003°
• γ: 92.491 ± 0.003°
• Cell volume: 714.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No