Information card for entry 2212919

Structure parameters

• Chemical name: Diisopropyl 1-(methylsulfonyl)hydrazine-1,2-dicarboxylate
• Formula: C9 H18 N2 O6 S
• Calculated formula: C9 H18 N2 O6 S
• SMILES: S(=O)(=O)(N(NC(=O)OC(C)C)C(=O)OC(C)C)C
• Title of publication: Diisopropyl 1-(methylsulfonyl)hydrazine-1,2-dicarboxylate
• Authors of publication: Banwell, Martin G.; Dauge, Delphine; Willis, Anthony C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o2009 - o2011
• a: 9.0845 ± 0.0002 Å
• b: 17.1465 ± 0.0004 Å
• c: 9.9094 ± 0.0002 Å
• α: 90°
• β: 110.972 ± 0.0013°
• γ: 90°
• Cell volume: 1441.31 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9441
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes