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Information card for entry 2235360
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| Coordinates | 2235360.cif |
|---|---|
| Structure factors | 2235360.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 4-{[(<i>E</i>)-2,3-Dihydroxybenzylidene]amino}- <i>N</i>-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
|---|---|
| Formula | C17 H15 N3 O5 S |
| Calculated formula | C17 H15 N3 O5 S |
| SMILES | S(=O)(=O)(Nc1noc(c1)C)c1ccc(/N=C/c2c(O)c(O)ccc2)cc1 |
| Title of publication | 4-{[(<i>E</i>)-2,3-Dihydroxybenzylidene]amino}-<i>N</i>-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
| Authors of publication | Tahir, M. Nawaz; Khan, Abdul Haleem; Iqbal, Mohammad S.; Munir, Christy; Aziz, Tariq |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o2125 |
| a | 7.1881 ± 0.0006 Å |
| b | 10.6682 ± 0.001 Å |
| c | 11.6865 ± 0.0009 Å |
| α | 92.181 ± 0.004° |
| β | 99.776 ± 0.004° |
| γ | 99.606 ± 0.005° |
| Cell volume | 868.74 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 all reflections | 0.099 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235360.cif 2235360.hkl |
| 201979 | 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. |
2235360.cif 2235360.hkl |
| 181275 | 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 2/23/53. |
2235360.cif 2235360.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. |
2235360.cif 2235360.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235360.cif 2235360.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. | 2235360.cif 2235360.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235360.cif 2235360.hkl |
| 63800 | 2012-08-10 | cif/ Adding structures of 2235360 via cif-deposit CGI script. |
2235360.cif |
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Users of the data should acknowledge the original authors of the
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