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Information card for entry 2003249
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| Coordinates | 2003249.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20 H18 N2 O2 S |
|---|---|
| Calculated formula | C20 H18 N2 O2 S |
| SMILES | CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2)CC |
| Title of publication | 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin |
| Authors of publication | Jasinski, J. P.; Paight, E. S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 3 |
| Pages of publication | 531 - 533 |
| a | 8.962 ± 0.001 Å |
| b | 11.136 ± 0.002 Å |
| c | 8.922 ± 0.001 Å |
| α | 95.14 ± 0.01° |
| β | 104.5 ± 0.01° |
| γ | 86.74 ± 0.01° |
| Cell volume | 858 ± 0.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0413 |
| Goodness-of-fit parameter for significantly intense reflections | 1.528 |
| Diffraction radiation wavelength | 0.7107 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.