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Information card for entry 2312282
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| Coordinates | 2312282.cif |
|---|---|
| Structure factors | 2312282.hkl |
| Original IUCr paper | HTML |
| Common name | 2,2'-Dithiobispyrazine |
|---|---|
| Chemical name | 2-(Pyrazin-2-yldisulfanyl)pyrazine |
| Formula | C8 H6 N4 S2 |
| Calculated formula | C8 H6 N4 S2 |
| Title of publication | 2,2'-Dithiobispyrazine: about the disulfide bond. |
| Authors of publication | Wzgarda-Raj, Kinga; Dominikowska, Justyna; Husik, Natallia; Rybarczyk-Pirek, Agnieszka J |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 9 |
| a | 5.6832 ± 0.0001 Å |
| b | 7.4639 ± 0.0002 Å |
| c | 11.7473 ± 0.0003 Å |
| α | 91.524 ± 0.002° |
| β | 95.245 ± 0.002° |
| γ | 106.024 ± 0.002° |
| Cell volume | 476.24 ± 0.02 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285904 (current) | 2023-08-30 | cif/ hkl/ Adding structures of 2312282 via cif-deposit CGI script. |
2312282.cif 2312282.hkl |
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Users of the data should acknowledge the original authors of the
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