Information card for entry 2223359

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-[<i>N</i>,<i>N</i>-bis(2-chloroethyl)sulfamoyl]- <i>N</i>-(2-chloroethyl)carbamate
• Formula: C11 H21 Cl3 N2 O4 S
• Calculated formula: C11 H21 Cl3 N2 O4 S
• SMILES: C(CCl)N(C(=O)OC(C)(C)C)S(=O)(=O)N(CCCl)CCCl
• Title of publication: <i>tert</i>-Butyl <i>N</i>-[<i>N</i>,<i>N</i>-bis(2-chloroethyl)sulfamoyl]-<i>N</i>-(2-chloroethyl)carbamate
• Authors of publication: Seridi, Achour; Akkari, Hocine; Winum, Jean-Yves; Bénard-Rocherullé, Patricia; Abdaoui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2543 - o2544
• a: 9.6132 ± 0.0005 Å
• b: 17.1282 ± 0.0009 Å
• c: 10.6763 ± 0.0005 Å
• α: 90°
• β: 93.868 ± 0.003°
• γ: 90°
• Cell volume: 1753.92 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes