Information card for entry 2220129

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-phenylacetylthiourea
• Formula: C13 H18 N2 O S
• Calculated formula: C13 H18 N2 O S
• SMILES: c1ccccc1CC(=O)NC(=S)N(CC)CC
• Title of publication: <i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-phenylacetylthiourea
• Authors of publication: Xian, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2256
• a: 11.578 ± 0.007 Å
• b: 12.804 ± 0.008 Å
• c: 9.176 ± 0.006 Å
• α: 90°
• β: 103.842 ± 0.01°
• γ: 90°
• Cell volume: 1320.8 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes