Information card for entry 2212918

Structure parameters

• Chemical name: (E)-O-Ethyl N-(4-methylphenyl)thiocarbamate
• Formula: C10 H13 N O S
• Calculated formula: C10 H13 N O S
• SMILES: S=C(OCC)Nc1ccc(C)cc1
• Title of publication: (<i>E</i>)-<i>O</i>-Ethyl <i>N</i>-(4-methylphenyl)thiocarbamate
• Authors of publication: Primjira P. Tadbuppa; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1885 - o1886
• a: 5.9054 ± 0.0008 Å
• b: 7.4497 ± 0.001 Å
• c: 11.9638 ± 0.0016 Å
• α: 89.321 ± 0.003°
• β: 82.207 ± 0.003°
• γ: 85.931 ± 0.003°
• Cell volume: 520.15 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes