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Information card for entry 2232453
Preview
| Coordinates | 2232453.cif |
|---|---|
| Structure factors | 2232453.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2,4-Dichloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide |
|---|---|
| Formula | C12 H7 Cl4 N O2 S |
| Calculated formula | C12 H7 Cl4 N O2 S |
| SMILES | c1(c(cc(cc1)Cl)Cl)S(=O)(=O)Nc1cc(cc(c1)Cl)Cl |
| Title of publication | 2,4-Dichloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide |
| Authors of publication | Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2976 |
| a | 8.075 ± 0.001 Å |
| b | 9.479 ± 0.001 Å |
| c | 10.103 ± 0.002 Å |
| α | 84.9 ± 0.02° |
| β | 78.49 ± 0.01° |
| γ | 79.28 ± 0.01° |
| Cell volume | 743.46 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0503 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
2232453.cif 2232453.hkl |
| 181246 | 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 2/23/24. |
2232453.cif 2232453.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. |
2232453.cif 2232453.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232453.cif 2232453.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. | 2232453.cif 2232453.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232453.cif 2232453.hkl |
| 31112 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232453 via cif-deposit CGI script. |
2232453.cif |
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Users of the data should acknowledge the original authors of the
structural data.