Information card for entry 2225816

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-[(2-oxo-1,3-thiazolidin-3-yl)carbonyl]benzenesulfonamide
• Formula: C11 H12 N2 O4 S2
• Calculated formula: C11 H12 N2 O4 S2
• SMILES: O=C(N1CCSC1=O)NS(=O)(=O)c1ccc(cc1)C
• Title of publication: 4-Methyl-<i>N</i>-[(2-oxo-1,3-thiazolidin-3-yl)carbonyl]benzenesulfonamide
• Authors of publication: Chen, Qing-Wu; Weng, Jian-Quan; Tan, Cheng-Xia; Shen, De-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1159
• a: 9.556 ± 0.0004 Å
• b: 9.6722 ± 0.0004 Å
• c: 14.6352 ± 0.0006 Å
• α: 88.7232 ± 0.001°
• β: 86.3267 ± 0.0011°
• γ: 76.5399 ± 0.0011°
• Cell volume: 1312.8 ± 0.09 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 294 ± 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 significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes