Information card for entry 2234789

Structure parameters

• Chemical name: <i>N</i>-(3,4-Difluorophenyl)-2,2-diphenylacetamide
• Formula: C20 H15 F2 N O
• Calculated formula: C20 H15 F2 N O
• SMILES: O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)F)F
• Title of publication: <i>N</i>-(3,4-Difluorophenyl)-2,2-diphenylacetamide
• Authors of publication: Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1349 - o1350
• a: 9.9756 ± 0.0002 Å
• b: 18.0181 ± 0.0003 Å
• c: 9.8107 ± 0.0002 Å
• α: 90°
• β: 117.064 ± 0.001°
• γ: 90°
• Cell volume: 1570.3 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes