Information card for entry 2203527

Structure parameters

• Common name: N-ethoxycarbonyl-N'-(2-methylphenyl)thiourea
• Chemical name: N-ethoxycarbonyl-N'-(2-methylphenyl)thiourea
• Formula: C11 H14 N2 O2 S
• Calculated formula: C11 H14 N2 O2 S
• SMILES: S=C(Nc1c(C)cccc1)NC(=O)OCC
• Title of publication: <i>N</i>-Ethoxycarbonyl-<i>N</i>'-(2-methylphenyl)thiourea
• Authors of publication: Lin, Qi; Zhang, You-Ming; Wei, Tai-bao; Wang, Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o580 - o582
• a: 7.36 ± 0.001 Å
• b: 15.811 ± 0.003 Å
• c: 10.789 ± 0.002 Å
• α: 90°
• β: 103.82 ± 0.01°
• γ: 90°
• Cell volume: 1219.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes