Information card for entry 2234761

Structure parameters

• Common name: biscarbamoyldisulfane
• Chemical name: Bis(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)disulfane
• Formula: C16 H16 N2 O2 S2
• Calculated formula: C16 H16 N2 O2 S2
• SMILES: CN(c1ccccc1)C(=O)SSC(=O)N(c1ccccc1)C
• Title of publication: Bis(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)disulfane
• Authors of publication: Schroll, Alayne L.; Pink, Maren; Barany, George
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1550
• a: 15.286 ± 0.003 Å
• b: 9.7849 ± 0.0018 Å
• c: 11.597 ± 0.002 Å
• α: 90°
• β: 107.433 ± 0.003°
• γ: 90°
• Cell volume: 1654.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes