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Information card for entry 2012034
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| Coordinates | 2012034.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N,N'-Dithiodiphthalimide |
|---|---|
| Formula | C16 H8 N2 O4 S2 |
| Calculated formula | C16 H8 N2 O4 S2 |
| SMILES | O=C1N(SSN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2 |
| Title of publication | Solvated and solvent-free forms of <i>N</i>,<i>N</i>'-dithiodiphthalimide |
| Authors of publication | Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 742 - 746 |
| a | 14.3782 ± 0.0013 Å |
| b | 16.0723 ± 0.0014 Å |
| c | 7.791 ± 0.0007 Å |
| α | 90° |
| β | 93.256 ± 0.002° |
| γ | 90° |
| Cell volume | 1797.5 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.096 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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