Information card for entry 2200362

Structure parameters

• Formula: C14 H21 N O5 S2
• Calculated formula: C14 H21 N O5 S2
• SMILES: S1(=O)(=NS(=O)(=O)c2ccc(C)cc2)CCC(OC)(OC)CC1
• Title of publication: <i>N</i>-(4,4-Dimethoxy-1-oxo-1λ^6^-thianylidene)-4-methyl-1-benzenesulfonamide
• Authors of publication: Creaser, Steffen P.; Pyke, Simon M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o394 - o395
• a: 19.516 ± 0.008 Å
• b: 6.039 ± 0.002 Å
• c: 14.94 ± 0.007 Å
• α: 90°
• β: 112.17 ± 0.03°
• γ: 90°
• Cell volume: 1630.6 ± 1.2 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes