Information card for entry 2237868

Structure parameters

• Chemical name: <i>N</i>-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide
• Formula: C25 H26 N2 O S
• Calculated formula: C25 H26 N2 O S
• SMILES: CCc1cccc(c1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1)CC
• Title of publication: <i>N</i>-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide
• Authors of publication: Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o967
• a: 8.0091 ± 0.0001 Å
• b: 11.7289 ± 0.0002 Å
• c: 11.8923 ± 0.0002 Å
• α: 79.008 ± 0.001°
• β: 80.628 ± 0.001°
• γ: 83.936 ± 0.001°
• Cell volume: 1078.79 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0512
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes