Information card for entry 2202103

Structure parameters

• Chemical name: N-Benzoyl- N'-Phenylthiourea
• Formula: C14 H12 N2 O S
• Calculated formula: C14 H12 N2 O S
• SMILES: S=C(NC(=O)c1ccccc1)Nc1ccccc1
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>'-phenylthiourea
• Authors of publication: Bohari M. Yamin; M. Sukeri M. Yusof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o151 - o152
• a: 12.8492 ± 0.0011 Å
• b: 5.1963 ± 0.0005 Å
• c: 19.5971 ± 0.0018 Å
• α: 90°
• β: 104.484 ± 0.002°
• γ: 90°
• Cell volume: 1266.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes