Information card for entry 2201473

Structure parameters

• Chemical name: N',N'-Dibenzylsulfamide-N-(2-bromoethyl)
• Formula: C16 H19 Br N2 O2 S
• Calculated formula: C16 H19 Br N2 O2 S
• SMILES: C(CNS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1)Br
• Title of publication: <i>N</i>',<i>N</i>'-Dibenzyl-<i>N</i>-(2-bromoéthyl)sulfamide
• Authors of publication: Benali-Cherif, Nourredine; Dokhane, Sohere; Abdaoui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o723 - o725
• a: 15.334 ± 0.003 Å
• b: 5.606 ± 0.002 Å
• c: 20.45 ± 0.002 Å
• α: 90 ± 0.01°
• β: 107.2 ± 0.02°
• γ: 90 ± 0.01°
• Cell volume: 1679.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1789
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes