Information card for entry 2241956

Structure parameters

• Chemical name: (<i>Z</i>)-[(Dimethylcarbamoyl)(methylsulfanyl)methylidene]amino <i>N</i>-methylcarbamate
• Formula: C7 H13 N3 O3 S
• Calculated formula: C7 H13 N3 O3 S
• SMILES: S(/C(=N\OC(=O)NC)C(=O)N(C)C)C
• Title of publication: Crystal structure of oxamyl
• Authors of publication: Kwon, Eunjin; Park, Ki-Min; Park, Hyunjin; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1816 - 1818
• a: 8.3367 ± 0.0004 Å
• b: 10.7752 ± 0.0005 Å
• c: 24.1016 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2165.04 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes