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Information card for entry 7206920
Preview
| Coordinates | 7206920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2-iodo-N-(3-fluorophenyl)benzamide |
|---|---|
| Chemical name | 2-iodo-N-(3-fluorophenyl)benzamide |
| Formula | C13 H9 F I N O |
| Calculated formula | C13 H9 F I N O |
| Title of publication | Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides |
| Authors of publication | Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 200 |
| a | 5.1012 ± 0.0003 Å |
| b | 11.0188 ± 0.0007 Å |
| c | 12.441 ± 0.0008 Å |
| α | 64.411 ± 0.003° |
| β | 79.243 ± 0.003° |
| γ | 87.18 ± 0.003° |
| Cell volume | 619.23 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206920.cif |
| 180400 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/69. |
7206920.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206920.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206920.cif |
| 32437 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206913, 7206914, 7206915, 7206916, 7206917, 7206918, 7206919, 7206920, 7206921, 7206922 via cif-deposit CGI script. |
7206920.cif |
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Users of the data should acknowledge the original authors of the
structural data.