Information card for entry 2241805

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-<i>N</i>-(2-iodophenyl)acetamide
• Formula: C14 H11 Cl I N O
• Calculated formula: C14 H11 Cl I N O
• SMILES: C(=O)(Nc1c(I)cccc1)Cc1ccc(Cl)cc1
• Title of publication: Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-<i>N</i>-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide
• Authors of publication: Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1270 - 1275
• a: 24.001 ± 0.001 Å
• b: 6.2369 ± 0.0003 Å
• c: 9.3266 ± 0.0004 Å
• α: 90°
• β: 99.621 ± 0.002°
• γ: 90°
• Cell volume: 1376.48 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes