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Information card for entry 2230335
Preview
| Coordinates | 2230335.cif |
|---|---|
| Structure factors | 2230335.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2-Chloro-4-(2-iodobenzenesulfonamido)benzoic acid |
|---|---|
| Formula | C13 H9 Cl I N O4 S |
| Calculated formula | C13 H9 Cl I N O4 S |
| SMILES | Ic1c(S(=O)(=O)Nc2cc(Cl)c(cc2)C(=O)O)cccc1 |
| Title of publication | 2-Chloro-4-(2-iodobenzenesulfonamido)benzoic acid |
| Authors of publication | Arshad, Muhammad Nadeem; Khan, Islam Ullah; Rafique, H. M.; Asiri, Abdullah M.; Shafiq, Muhammad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1327 |
| a | 14.1522 ± 0.0008 Å |
| b | 7.3203 ± 0.0004 Å |
| c | 14.7193 ± 0.0008 Å |
| α | 90° |
| β | 104.892 ± 0.002° |
| γ | 90° |
| Cell volume | 1473.68 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1298 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2230335.cif 2230335.hkl |
| 181225 | 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 2/23/03. |
2230335.cif 2230335.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230335.cif 2230335.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230335.cif 2230335.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. | 2230335.cif 2230335.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230335.cif 2230335.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230335.cif 2230335.hkl |
| 22315 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230335 via cif-deposit CGI script. |
2230335.cif |
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Users of the data should acknowledge the original authors of the
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