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Information card for entry 2231588
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| Coordinates | 2231588.cif |
|---|---|
| Structure factors | 2231588.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(4-chlorobenzenesulfonamide) |
|---|---|
| Chemical name | 4-chloro-<i>N</i>-[2-(4-chlorobenzenesulfonamido)ethyl]benzenesulfonamide |
| Formula | C14 H14 Cl2 N2 O4 S2 |
| Calculated formula | C14 H14 Cl2 N2 O4 S2 |
| SMILES | Clc1ccc(cc1)S(=O)(=O)NCCNS(=O)(=O)c1ccc(cc1)Cl |
| Title of publication | <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(4-chlorobenzenesulfonamide) |
| Authors of publication | Al-Dajani, Mohammad T. M.; Wahab, Habibah A.; Shamsuddin, Shaharum; Hemamalini, Madhukar; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2241 |
| a | 13.264 ± 0.0005 Å |
| b | 5.339 ± 0.0002 Å |
| c | 13.1792 ± 0.0005 Å |
| α | 90° |
| β | 110.27 ± 0.001° |
| γ | 90° |
| Cell volume | 875.51 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181237 (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 2/23/15. |
2231588.cif 2231588.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. |
2231588.cif 2231588.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231588.cif 2231588.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. | 2231588.cif 2231588.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231588.cif 2231588.hkl |
| 27718 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231588 via cif-deposit CGI script. |
2231588.cif |
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Users of the data should acknowledge the original authors of the
structural data.