Information card for entry 2228443

Structure parameters

• Common name: <i>N</i>-(4-Hydroxypheylcarbamothioyl)benzamide
• Chemical name: 1-Benzoyl-3-(4-hydroxyphenyl)thiourea
• Formula: C14 H12 N2 O2 S
• Calculated formula: C14 H12 N2 O2 S
• SMILES: S=C(NC(=O)c1ccccc1)Nc1ccc(cc1)O
• Title of publication: 1-Benzoyl-3-(4-hydroxyphenyl)thiourea
• Authors of publication: Al-abbasi, Aisha A.; Tan, Siew San; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3181
• a: 5.5865 ± 0.001 Å
• b: 14.451 ± 0.002 Å
• c: 16.462 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1329 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes