Information card for entry 2218308

Structure parameters

• Chemical name: (2E)-2-(2,4-Dichlorophenylsulfonyl)-3-(4-methylanilino)-3- (methylsulfanyl)acrylonitrile
• Formula: C17 H14 Cl2 N2 O2 S2
• Calculated formula: C17 H14 Cl2 N2 O2 S2
• SMILES: S(=O)(=O)(c1c(Cl)cc(Cl)cc1)/C(=C(SC)\Nc1ccc(cc1)C)C#N
• Title of publication: (2<i>E</i>)-2-(2,4-Dichlorophenylsulfonyl)-3-(4-methylanilino)-3-(methylsulfanyl)acrylonitrile
• Authors of publication: Capparelli, Mario V.; Barazarte, Arthur R.; Charris, Jaime E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o983 - o984
• a: 11.3975 ± 0.0006 Å
• b: 14.8147 ± 0.0008 Å
• c: 11.7215 ± 0.0006 Å
• α: 90°
• β: 109.444 ± 0.001°
• γ: 90°
• Cell volume: 1866.3 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes