Information card for entry 2235366

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Bis(4-chlorophenylsulfonyl)succinamide dihydrate
• Formula: C16 H18 Cl2 N2 O8 S2
• Calculated formula: C16 H18 Cl2 N2 O8 S2
• SMILES: O=C(NS(=O)(=O)c1ccc(cc1)Cl)CCC(=O)NS(=O)(=O)c1ccc(cc1)Cl.O.O
• Title of publication: <i>N</i>,<i>N</i>-Bis(4-chlorophenylsulfonyl)succinamide dihydrate
• Authors of publication: Purandara, H.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2063
• a: 33.349 ± 0.002 Å
• b: 4.9737 ± 0.0004 Å
• c: 13.171 ± 0.001 Å
• α: 90°
• β: 90.66 ± 0.007°
• γ: 90°
• Cell volume: 2184.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes