Information card for entry 2233214

Structure parameters

• Chemical name: <i>N</i>-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate
• Formula: C8 H17 N3 O3 S4
• Calculated formula: C8 H17 N3 O3 S4
• Title of publication: <i>N</i>-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate
• Authors of publication: Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o224
• a: 7.09 ± 0.002 Å
• b: 9.982 ± 0.003 Å
• c: 11.513 ± 0.003 Å
• α: 100.872 ± 0.006°
• β: 96.827 ± 0.004°
• γ: 91.359 ± 0.004°
• Cell volume: 793.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes