Information card for entry 2221023

Structure parameters

• Chemical name: Ethyl 2-[<i>N</i>-(2-formylphenyl)benzenesulfonamido]acetate
• Formula: C17 H17 N O5 S
• Calculated formula: C17 H17 N O5 S
• SMILES: c1cc(c(cc1)N(CC(=O)OCC)S(=O)(=O)c1ccccc1)C=O
• Title of publication: Ethyl 2-[<i>N</i>-(2-formylphenyl)benzenesulfonamido]acetate
• Authors of publication: Ranjith, S.; Sugumar, P.; Sureshbabu, R.; Mohanakrishnan, A. K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o483
• a: 11.3512 ± 0.0006 Å
• b: 11.782 ± 0.0006 Å
• c: 12.8045 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1712.47 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes