Information card for entry 2206843

Structure parameters

• Chemical name: N-(4-Methoxybenzoyl)-N'-(4-methylphenyl)thiourea
• Formula: C16 H16 N2 O2 S
• Calculated formula: C16 H16 N2 O2 S
• SMILES: S=C(NC(=O)c1ccc(OC)cc1)Nc1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Methoxybenzoyl)-<i>N</i>'-(4-methylphenyl)thiourea
• Authors of publication: Yusof, M. Sukeri M.; Sahali, A. Mardi; Bohari M. Yamin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3357 - o3358
• a: 5.3676 ± 0.0009 Å
• b: 11.4763 ± 0.0019 Å
• c: 12.447 ± 0.002 Å
• α: 92.505 ± 0.003°
• β: 91.692 ± 0.003°
• γ: 94.138 ± 0.003°
• Cell volume: 763.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes