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Information card for entry 2232106
Preview
| Coordinates | 2232106.cif |
|---|---|
| Structure factors | 2232106.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-[(1<i>H</i>-Imidazol-2-yl)disulfanyl]-1<i>H</i>-imidazole |
|---|---|
| Formula | C6 H6 N4 S2 |
| Calculated formula | C6 H6 N4 S2 |
| SMILES | c1(ncc[nH]1)SSc1ncc[nH]1 |
| Title of publication | 2-[(1<i>H</i>-Imidazol-2-yl)disulfanyl]-1<i>H</i>-imidazole |
| Authors of publication | Feizbakhsh Bazargani, Mona; Talavat, Laleh; Naderi, Soheila; Khavasi, Hamid Reza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2585 |
| a | 14.083 ± 0.003 Å |
| b | 6.3928 ± 0.0013 Å |
| c | 9.922 ± 0.002 Å |
| α | 90° |
| β | 122.29 ± 0.03° |
| γ | 90° |
| Cell volume | 755.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.1847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2232106.cif 2232106.hkl |
| 181243 | 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 2/23/21. |
2232106.cif 2232106.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. |
2232106.cif 2232106.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232106.cif 2232106.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. | 2232106.cif 2232106.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232106.cif 2232106.hkl |
| 29400 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232106 via cif-deposit CGI script. |
2232106.cif |
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Users of the data should acknowledge the original authors of the
structural data.