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Information card for entry 2233303
Preview
| Coordinates | 2233303.cif |
|---|---|
| Structure factors | 2233303.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-<i>N</i>-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide |
|---|---|
| Formula | C14 H10 Cl2 I N O3 S |
| Calculated formula | C14 H10 Cl2 I N O3 S |
| SMILES | O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)I)Cl |
| Title of publication | 2-Chloro-<i>N</i>-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide |
| Authors of publication | Wang, Dao-Cai; Song, Hang; Yang, Chang; Huang, Wen-Cai; Yao, Shun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o189 |
| a | 8.8694 ± 0.0006 Å |
| b | 10.3837 ± 0.0008 Å |
| c | 10.4288 ± 0.0005 Å |
| α | 103.862 ± 0.005° |
| β | 96.452 ± 0.005° |
| γ | 114.949 ± 0.007° |
| Cell volume | 820.25 ± 0.11 Å3 |
| Cell temperature | 290 ± 4 K |
| Ambient diffraction temperature | 290 ± 4 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/33. |
2233303.cif 2233303.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2233303.cif 2233303.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233303.cif 2233303.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233303.cif 2233303.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233303.cif 2233303.hkl |
| 32368 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233303 via cif-deposit CGI script. |
2233303.cif |
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Users of the data should acknowledge the original authors of the
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