Information card for entry 2215793

Structure parameters

• Chemical name: N-(4-Methoxyphenyl)-N'-(4-methylbenzoyl)thiourea
• Formula: C16 H16 N2 O2 S
• Calculated formula: C16 H16 N2 O2 S
• SMILES: S=C(Nc1ccc(OC)cc1)NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Methoxyphenyl)-<i>N</i>'-(4-methylbenzoyl)thiourea
• Authors of publication: Razis, Aminah M.; Yusof, M. Sukeri M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4225 - o4225
• a: 13.102 ± 0.003 Å
• b: 6.4224 ± 0.0017 Å
• c: 18.292 ± 0.005 Å
• α: 90°
• β: 102.34 ± 0.004°
• γ: 90°
• Cell volume: 1503.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes