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Information card for entry 2233214
Preview
| Coordinates | 2233214.cif |
|---|---|
| Structure factors | 2233214.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate |
|---|---|
| Formula | C8 H17 N3 O3 S4 |
| Calculated formula | C8 H17 N3 O3 S4 |
| Title of publication | <i>N</i>-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate |
| Authors of publication | Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o224 |
| a | 7.09 ± 0.002 Å |
| b | 9.982 ± 0.003 Å |
| c | 11.513 ± 0.003 Å |
| α | 100.872 ± 0.006° |
| β | 96.827 ± 0.004° |
| γ | 91.359 ± 0.004° |
| Cell volume | 793.6 ± 0.4 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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. |
2233214.cif 2233214.hkl |
| 181254 | 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 2/23/32. |
2233214.cif 2233214.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. |
2233214.cif 2233214.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233214.cif 2233214.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. | 2233214.cif 2233214.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233214.cif 2233214.hkl |
| 32273 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233214 via cif-deposit CGI script. |
2233214.cif |
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Users of the data should acknowledge the original authors of the
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