Information card for entry 2208454

Structure parameters

• Chemical name: 4-Methyl-N-(4-oxo-2-thioxoimidazolidin-3-yl)-1,2,3-thiadiazole-5-carboxamide
• Formula: C7 H7 N5 O2 S2
• Calculated formula: C7 H7 N5 O2 S2
• SMILES: s1nnc(c1C(=O)NN1C(=O)CNC1=S)C
• Title of publication: 4-Methyl-<i>N</i>-(4-oxo-2-thioxoimidazolidin-3-yl)-1,2,3-thiadiazole-5-carboxamide
• Authors of publication: Wawrzycka-Gorczyca, Irena; Siwek, Agata; Dobosz, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o864 - o865
• a: 7.528 ± 0.002 Å
• b: 7.239 ± 0.001 Å
• c: 19.843 ± 0.004 Å
• α: 90°
• β: 91.74 ± 0.03°
• γ: 90°
• Cell volume: 1080.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No