Information card for entry 2204018

Structure parameters

• Common name: S,S'-Bis(methoxycarbonylmethyl)dithioglyoxime monohydrate
• Chemical name: dimethyl [1,2-bis(hydroxyimino)ethane-1,2-diyl]dithiodiacetate monohydrate
• Formula: C8 H14 N2 O7 S2
• Calculated formula: C8 H14 N2 O7 S2
• SMILES: COC(=O)CSC(=N\O)/C(=N/O)SCC(=O)OC.O
• Title of publication: S,S'-Bis(methoxycarbonylmethyl)dithioglyoxime monohydrate
• Authors of publication: Serkan Soylu; Mehmet Kandaz; Nezihe Çalıs̨kan
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1347 - o1349
• a: 8.6173 ± 0.0015 Å
• b: 5.2953 ± 0.0007 Å
• c: 15.588 ± 0.003 Å
• α: 90°
• β: 93.214 ± 0.014°
• γ: 90°
• Cell volume: 710.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No