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Information card for entry 2225816
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| Coordinates | 2225816.cif |
|---|---|
| Structure factors | 2225816.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Methyl-<i>N</i>-[(2-oxo-1,3-thiazolidin-3-yl)carbonyl]benzenesulfonamide |
|---|---|
| Formula | C11 H12 N2 O4 S2 |
| Calculated formula | C11 H12 N2 O4 S2 |
| SMILES | O=C(N1CCSC1=O)NS(=O)(=O)c1ccc(cc1)C |
| Title of publication | 4-Methyl-<i>N</i>-[(2-oxo-1,3-thiazolidin-3-yl)carbonyl]benzenesulfonamide |
| Authors of publication | Chen, Qing-Wu; Weng, Jian-Quan; Tan, Cheng-Xia; Shen, De-Long |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | o1159 |
| a | 9.556 ± 0.0004 Å |
| b | 9.6722 ± 0.0004 Å |
| c | 14.6352 ± 0.0006 Å |
| α | 88.7232 ± 0.001° |
| β | 86.3267 ± 0.0011° |
| γ | 76.5399 ± 0.0011° |
| Cell volume | 1312.8 ± 0.09 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections included in the refinement | 0.1525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181179 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/58. |
2225816.cif 2225816.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225816.cif 2225816.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225816.cif 2225816.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. | 2225816.cif 2225816.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225816.cif 2225816.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225816.cif 2225816.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225816.cif |
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