Information card for entry 2008463

Structure parameters

• Chemical name: N-[2,3-dihydro-4-(2,5-Dimethoxyphenyl)thiazol-2-ylidene]-2,4- dichlorobenzenesulfonamide.
• Formula: C17 H14 Cl2 N2 O4 S2
• Calculated formula: C17 H14 Cl2 N2 O4 S2
• SMILES: c1(c(ccc(c1)OC)OC)C1NC(SC=1)=NS(=O)(=O)c1ccc(cc1Cl)Cl
• Title of publication: Tautomerism in a 2,4-dichlorobenzenesulfonamide derived from 2-amino-4-(2,5-dimethoxyphenyl)thiazole
• Authors of publication: Beuchet, Pierre; Léger, Jean-Michel; Varache-Lembége, Martine; Nuhrich, Alain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 791 - 794
• a: 12.369 ± 0.001 Å
• b: 12.998 ± 0.001 Å
• c: 13.39 ± 0.001 Å
• α: 63.54 ± 0.01°
• β: 88.97 ± 0.01°
• γ: 79.89 ± 0.01°
• Cell volume: 1892.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.134
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No