Information card for entry 2238373

Structure parameters

• Chemical name: 2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide
• Formula: C22 H17 F3 N2 O S
• Calculated formula: C22 H17 F3 N2 O S
• SMILES: S=C(Nc1ccccc1C(F)(F)F)NC(=O)C(c1ccccc1)c1ccccc1
• Title of publication: 2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide
• 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: 8
• Pages of publication: o1255 - o1256
• a: 20.0318 ± 0.0004 Å
• b: 10.2866 ± 0.0002 Å
• c: 9.5351 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1964.79 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes