Information card for entry 2222976

Structure parameters

• Chemical name: <i>N</i>-(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
• Formula: C5 H7 N3 O S2
• Calculated formula: C5 H7 N3 O S2
• SMILES: CSc1nnc(NC(=O)C)s1
• Title of publication: <i>N</i>-(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
• Authors of publication: Zhang, Guo-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2138
• a: 5.0797 ± 0.001 Å
• b: 7.9894 ± 0.0016 Å
• c: 10.081 ± 0.002 Å
• α: 91.96 ± 0.03°
• β: 90.94 ± 0.03°
• γ: 105.27 ± 0.03°
• Cell volume: 394.31 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes