Information card for entry 4116864

Structure parameters

• Common name: C6H14N4O4S
• Chemical name: N,N'-Bis(2-aminocarbonylethyl)sulfamide
• Formula: C6 H14 N4 O4 S
• Calculated formula: C6 H14 N4 O4 S
• SMILES: C(=O)(N)CCNS(=O)(=O)NCCC(=O)N
• 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: 8.653 ± 0.0005 Å
• b: 5.5969 ± 0.0003 Å
• c: 21.4247 ± 0.0012 Å
• α: 90°
• β: 99.644 ± 0.001°
• γ: 90°
• Cell volume: 1022.93 ± 0.1 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: 0.0437
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.117
• Goodness-of-fit parameter for all reflections: 1.149
• Goodness-of-fit parameter for significantly intense reflections: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No