Information card for entry 2204399

Structure parameters

• Chemical name: N-(p-Methoxybenzoyl)-N'-o-tolylthiourea
• Formula: C16 H16 N2 O2 S
• Calculated formula: C16 H16 N2 O2 S
• SMILES: S=C(NC(=O)c1ccc(OC)cc1)Nc1c(cccc1)C
• Title of publication: <i>N</i>-(4-Methoxybenzoyl)-<i>N</i>'-<i>o</i>-tolylthiourea
• Authors of publication: M. Sukeri M. Yusof; Bohari M. Yamin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1687 - o1688
• a: 7.4923 ± 0.0014 Å
• b: 7.7866 ± 0.0014 Å
• c: 14.406 ± 0.003 Å
• α: 94.492 ± 0.003°
• β: 102.639 ± 0.003°
• γ: 113.064 ± 0.003°
• Cell volume: 741.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.11
• 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