Information card for entry 2235601

Structure parameters

• Chemical name: <i>N</i>-Ethyl-<i>N</i>- phenyl{[ethyl(phenyl)carbamothioyl]disulfanyl}carbothioamide
• Formula: C18 H20 N2 S4
• Calculated formula: C18 H20 N2 S4
• SMILES: CCN(c1ccccc1)C(=S)SSC(=S)N(c1ccccc1)CC
• Title of publication: <i>N</i>-Ethyl-<i>N</i>-phenyl{[ethyl(phenyl)carbamothioyl]disulfanyl}carbothioamide
• Authors of publication: Ajibade, Peter A.; Ejelonu, Benjamin C.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2182
• a: 15.1923 ± 0.0002 Å
• b: 11.5954 ± 0.0002 Å
• c: 12.3762 ± 0.0002 Å
• α: 90°
• β: 115.039 ± 0.001°
• γ: 90°
• Cell volume: 1975.31 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes