Information card for entry 2202113

Structure parameters

• Chemical name: N,N'-Bis(benzamidothiocarbonyl)hydrazine dimethyl sulfoxide disolvate
• Formula: C20 H26 N4 O4 S4
• Calculated formula: C20 H26 N4 O4 S4
• SMILES: S=C(NC(=O)c1ccccc1)NNC(=S)NC(=O)c1ccccc1.CS(=O)C.CS(=O)C
• Title of publication: <i>N,N</i>'-Bis(benzamidothiocarbonyl)hydrazine dimethyl sulfoxide disolvate
• Authors of publication: Bohari M. Yamin; M.Sukeri M. Yusof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o358 - o359
• a: 6.4127 ± 0.0011 Å
• b: 15.486 ± 0.003 Å
• c: 12.805 ± 0.002 Å
• α: 90°
• β: 93.971 ± 0.003°
• γ: 90°
• Cell volume: 1268.6 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.084
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes