Information card for entry 2005598

Structure parameters

• Formula: C6 H9 N3 O S2
• Calculated formula: C6 H9 N3 O S2
• SMILES: CSC(=NNC(=O)CC#N)SC
• Title of publication: <i>N</i>'-[Bis(methylthio)methylene]cyanoacetohydrazide
• Authors of publication: Pomes Hernandez, R.; Gómez González, A.; Rosado Pérez, A.; Nápoles Frías, B. M.; Toscano, R. A.; Quincoces Suárez, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2941 - 2942
• a: 4.634 ± 0.001 Å
• b: 13.069 ± 0.004 Å
• c: 15.832 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 958.8 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No