Information card for entry 2238210

Structure parameters

• Chemical name: <i>N</i>-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide
• Formula: C23 H22 N2 O S
• Calculated formula: C23 H22 N2 O S
• SMILES: CCc1cccc(c1)NC(=S)NC(=O)C(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-[(3-Ethylphenyl)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: 7
• Pages of publication: o1016 - o1017
• a: 10.0608 ± 0.0002 Å
• b: 17.9092 ± 0.0005 Å
• c: 10.8495 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.87 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes