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Information card for entry 2006175
Preview
| Coordinates | 2006175.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-acridinium-9-yl-N'-propylidenehydrazine thiocyanate |
|---|---|
| Formula | C17 H16 N4 S |
| Calculated formula | C17 H16 N4 S |
| SMILES | [S-]C#N.N(N=CCC)c1c2c([nH+]c3ccccc13)cccc2 |
| Title of publication | 9-Propylidenehydrazino-10-acridinium Thiocyanate at 173K |
| Authors of publication | Linden, Anthony; Guspanová, Jana; Bernát, Juraj; Kristian, Pavol |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 6 |
| Pages of publication | 732 - 734 |
| a | 9.054 ± 0.005 Å |
| b | 11.467 ± 0.004 Å |
| c | 8.512 ± 0.003 Å |
| α | 110.66 ± 0.03° |
| β | 109.01 ± 0.04° |
| γ | 76.51 ± 0.04° |
| Cell volume | 774.8 ± 0.6 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Goodness-of-fit parameter for significantly intense reflections | 2.145 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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