Information card for entry 7160448

Structure parameters

• Formula: C15 H12 N2 O5 S
• Calculated formula: C15 H12 N2 O5 S
• Title of publication: NaI-mediated α-keto-acylation of <i>NH</i>-sulfoximines with aryl methyl ketones.
• Authors of publication: Rahman, Parbin; Chakraborty, Nikita; Patel, Bhisma K.; Rajbongshi, Kamal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4036 - 4040
• a: 7.7745 ± 0.0007 Å
• b: 8.9918 ± 0.0009 Å
• c: 11.1848 ± 0.0011 Å
• α: 84.052 ± 0.002°
• β: 77.84 ± 0.002°
• γ: 78.812 ± 0.002°
• Cell volume: 748.22 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No