Information card for entry 4116862

Structure parameters

• Chemical name: N,N'-Bis(2-methylpropyl)sulfamide
• Formula: C8 H20 N2 O2 S
• Calculated formula: C8 H20 N2 O2 S
• SMILES: O=S(=O)(NCC(C)C)NCC(C)C
• Title of publication: A Robust Two-Dimensional Hydrogen-Bonded Network: The Sulfamide Moiety as a New Building Block for the Design of Molecular Solids
• Authors of publication: Bing Gong; Chong Zheng; Ewa Skrzypczak-Jankun; Yinfa Yan; Jianhua Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 11194 - 11195
• a: 8.5456 ± 0.001 Å
• b: 6.2065 ± 0.0007 Å
• c: 22.984 ± 0.003 Å
• α: 90°
• β: 96.79 ± 0.01°
• γ: 90°
• Cell volume: 1210.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1194
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No