Information card for entry 2209408

Structure parameters

• Chemical name: 3-(2,4-dichlorophenyl)-N,N-diethyl-3-(4-methylphenylsulfonylamino)propanamide
• Formula: C20 H24 Cl2 N2 O3 S
• Calculated formula: C20 H24 Cl2 N2 O3 S
• SMILES: S(=O)(=O)(NC(c1c(Cl)cc(Cl)cc1)CC(=O)N(CC)CC)c1ccc(cc1)C
• Title of publication: 3-(2,4-Dichlorophenyl)-<i>N</i>,<i>N</i>-diethyl-3-(4-methylphenylsulfonylamino)propanamide
• Authors of publication: Zhi-Fang Yu; Zhi-Min Zhao; Juan Li; Guang Ju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3033 - o3034
• a: 7.895 ± 0.003 Å
• b: 10.704 ± 0.004 Å
• c: 14.046 ± 0.004 Å
• α: 105.881 ± 0.005°
• β: 100.025 ± 0.004°
• γ: 99.19 ± 0.004°
• Cell volume: 1097 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes