Information card for entry 2213090

Structure parameters

• Chemical name: <i>N</i>-Benzoyl-<i>N</i>'-(3-hydroxyphenyl)thiourea
• Formula: C14 H12 N2 O2 S
• Calculated formula: C14 H12 N2 O2 S
• SMILES: S=C(NC(=O)c1ccccc1)Nc1cc(O)ccc1
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>'-(3-hydroxyphenyl)thiourea
• Authors of publication: Abosadiya, Hamza Millad; Yamin, Bohari M.; Ngah, Nurziana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2403 - o2404
• a: 12.209 ± 0.003 Å
• b: 7.3126 ± 0.0017 Å
• c: 15.71 ± 0.004 Å
• α: 90°
• β: 112.133 ± 0.004°
• γ: 90°
• Cell volume: 1299.2 ± 0.6 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: 0.045
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes