Information card for entry 2214251

Structure parameters

• Chemical name: (E)-O-Ethyl N-(3-methoxyphenyl)thiocarbamate
• Formula: C10 H13 N O2 S
• Calculated formula: C10 H13 N O2 S
• SMILES: CCOC(=S)Nc1cc(ccc1)OC
• Title of publication: (<i>E</i>)-<i>O</i>-Ethyl <i>N</i>-(3-methoxyphenyl)thiocarbamate
• Authors of publication: Muhammad Hanif; Ghulam Qadeer; Lei Shi; Nasim Hasan Rama
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3062 - o3062
• a: 14.931 ± 0.003 Å
• b: 4.866 ± 0.001 Å
• c: 15.538 ± 0.003 Å
• α: 90°
• β: 107.75 ± 0.03°
• γ: 90°
• Cell volume: 1075.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No