Information card for entry 2220692

Structure parameters

• Chemical name: <i>N</i>-(Diphenylcarbamothioyl)-3-methylbenzamide
• Formula: C21 H18 N2 O S
• Calculated formula: C21 H18 N2 O S
• SMILES: S=C(NC(=O)c1cc(C)ccc1)N(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-(Diphenylcarbamothioyl)-3-methylbenzamide
• Authors of publication: Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o378 - o379
• a: 10.6928 ± 0.0012 Å
• b: 16.7647 ± 0.0017 Å
• c: 19.865 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3561 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes