Information card for entry 2232120

Structure parameters

• Chemical name: <i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide
• Formula: C20 H15 Cl F N O
• Calculated formula: C20 H15 Cl F N O
• SMILES: Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1F
• Title of publication: <i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide
• Authors of publication: Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2604
• a: 9.3665 ± 0.0017 Å
• b: 10.2069 ± 0.0012 Å
• c: 9.7774 ± 0.0016 Å
• α: 90°
• β: 114.42 ± 0.02°
• γ: 90°
• Cell volume: 851.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes