Information card for entry 2012980

Structure parameters

• Chemical name: N,N'-dibenzyldithioxamide
• Formula: C16 H16 N2 S2
• Calculated formula: C16 H16 N2 S2
• SMILES: S=C(C(=S)NCc1ccccc1)NCc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzyldithiooxamide
• Authors of publication: Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o608 - o609
• a: 7.665 ± 0.002 Å
• b: 10.533 ± 0.002 Å
• c: 9.263 ± 0.002 Å
• α: 90°
• β: 98.57 ± 0.02°
• γ: 90°
• Cell volume: 739.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes