Information card for entry 2229386

Structure parameters

• Chemical name: 1-Benzoyl-3-ethyl-3-phenylthiourea
• Formula: C16 H16 N2 O S
• Calculated formula: C16 H16 N2 O S
• SMILES: S=C(NC(=O)c1ccccc1)N(c1ccccc1)CC
• Title of publication: 1-Benzoyl-3-ethyl-3-phenylthiourea
• Authors of publication: Al-abbasi, Aisha A.; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o611
• a: 7.735 ± 0.002 Å
• b: 8.013 ± 0.002 Å
• c: 12.54 ± 0.003 Å
• α: 101.837 ± 0.005°
• β: 96.908 ± 0.005°
• γ: 94.205 ± 0.006°
• Cell volume: 751.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Cell measurement pressure: 101.3 kPa
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes