Information card for entry 2239436

Structure parameters

• Chemical name: 4-[(1,3-Dioxoisoindolin-2-yl)methyl]benzenesulfonamide
• Formula: C15 H12 N2 O4 S
• Calculated formula: C15 H12 N2 O4 S
• SMILES: O=C1N(Cc2ccc(cc2)S(=O)(=O)N)C(=O)c2c1cccc2
• Title of publication: 4-[(1,3-Dioxoisoindolin-2-yl)methyl]benzenesulfonamide
• Authors of publication: Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o291 - o292
• a: 4.9803 ± 0.0001 Å
• b: 26.5291 ± 0.0007 Å
• c: 10.274 ± 0.0003 Å
• α: 90°
• β: 90.804 ± 0.001°
• γ: 90°
• Cell volume: 1357.3 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes