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Information card for entry 2241805
Preview
| Coordinates | 2241805.cif |
|---|---|
| Structure factors | 2241805.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241805.cif 2241805.hkl |
| 185710 | 2016-08-10 | cif/ hkl/ Adding structures of 2241805, 2241806 via cif-deposit CGI script. |
2241805.cif 2241805.hkl |
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Users of the data should acknowledge the original authors of the
structural data.