Information card for entry 2202768

Structure parameters

• Chemical name: 3-[(2-Chlorophenyl)sulfonylamino]-2-cyano-N-(3,5-dimethoxyphenyl)- 3-methylsulfanyl-2-propenamide
• Formula: C19 H18 Cl N3 O5 S2
• Calculated formula: C19 H18 Cl N3 O5 S2
• SMILES: N(c1cc(OC)cc(OC)c1)C(=O)C(=C(/SC)NS(=O)(=O)c1c(Cl)cccc1)/C#N
• Title of publication: 3-[(2-Chlorophenyl)sulfonylamino]-2-cyano-<i>N</i>-(3,5-dimethoxyphenyl)-3-methylsulfanyl-2-propenamide
• Authors of publication: Colin H. L. Kennard; Helen G. McFadden; Karl A. Byriel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o922 - o923
• a: 9.506 ± 0.001 Å
• b: 9.738 ± 0.002 Å
• c: 12.572 ± 0.002 Å
• α: 109.65 ± 0.01°
• β: 94.14 ± 0.01°
• γ: 106.24 ± 0.01°
• Cell volume: 1034.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes