Information card for entry 2231088

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-[(<i>Z</i>)-3-(4-methylphenylsulfonyl)-1,3-thiazolidin-2- ylidene]benzenesulfonamide
• Formula: C17 H18 N2 O4 S3
• Calculated formula: C17 H18 N2 O4 S3
• SMILES: N1(S(=O)(=O)c2ccc(cc2)C)CCS/C1=N\S(=O)(=O)c1ccc(cc1)C
• Title of publication: 4-Methyl-<i>N</i>-[(<i>Z</i>)-3-(4-methylphenylsulfonyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
• Authors of publication: Hu, Hui-Ling; Yang, Geng-Ren; Yeh, Chun-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2103
• a: 9.3825 ± 0.0002 Å
• b: 14.4047 ± 0.0002 Å
• c: 14.2279 ± 0.0003 Å
• α: 90°
• β: 102.666 ± 0.001°
• γ: 90°
• Cell volume: 1876.14 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes