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Information card for entry 2010491
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| Coordinates | 2010491.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C24 H13 N5 S |
|---|---|
| Calculated formula | C24 H13 N5 S |
| SMILES | c1ccc2c(c1)Sc1c(N2)cccc1.N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N |
| Title of publication | Non-Sinusoidal Structure of the 1:1 Complex of Phenothiazine and 7,7,8,8-Tetracyanoquinodimethane |
| Authors of publication | Toupet, L.; Karl, N. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 2 |
| Pages of publication | 249 - 251 |
| a | 7.066 ± 0.003 Å |
| b | 10.657 ± 0.006 Å |
| c | 13.046 ± 0.007 Å |
| α | 91.99 ± 0.05° |
| β | 103.15 ± 0.05° |
| γ | 90.52 ± 0.04° |
| Cell volume | 955.9 ± 0.9 Å3 |
| Cell temperature | 294 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 significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Goodness-of-fit parameter for significantly intense reflections | 0.81 |
| Diffraction radiation wavelength | 0.70926 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.