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Information card for entry 2242568
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| Coordinates | 2242568.cif |
|---|---|
| Structure factors | 2242568.hkl |
| Original IUCr paper | HTML |
| Common name | Benzamide |
|---|---|
| Chemical name | 2-Iodobenzamide |
| Formula | C7 H6 I N O |
| Calculated formula | C7 H6 I N O |
| SMILES | Ic1c(cccc1)C(=O)N |
| Title of publication | Structural analysis of 2-iodobenzamide and 2-iodo-<i>N</i>-phenylbenzamide |
| Authors of publication | Bairagi, Keshab M.; Kumar, Vipin B. S.; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Nayak, Susanta K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 8 |
| Pages of publication | 1130 - 1133 |
| a | 5.0531 ± 0.0002 Å |
| b | 11.4478 ± 0.0005 Å |
| c | 13.2945 ± 0.0005 Å |
| α | 90° |
| β | 93.245 ± 0.001° |
| γ | 90° |
| Cell volume | 767.81 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0151 |
| Residual factor for significantly intense reflections | 0.0144 |
| Weighted residual factors for significantly intense reflections | 0.0328 |
| Weighted residual factors for all reflections included in the refinement | 0.033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209165 (current) | 2018-07-20 | cif/ hkl/ Adding structures of 2242568, 2242569 via cif-deposit CGI script. |
2242568.cif 2242568.hkl |
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Users of the data should acknowledge the original authors of the
structural data.