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Information card for entry 2003728
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| Coordinates | 2003728.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C8 H6 N2 O2 |
|---|---|
| Calculated formula | C8 H6 N2 O2 |
| SMILES | N#C/C(=C\c1ccco1)/C(=O)N |
| Title of publication | Two Cyanacrylamides |
| Authors of publication | Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 1575 - 1577 |
| a | 9.876 ± 0.003 Å |
| b | 10.325 ± 0.004 Å |
| c | 3.87 ± 0.008 Å |
| α | 93.86 ± 0.02° |
| β | 97.61 ± 0.02° |
| γ | 103.52 ± 0.03° |
| Cell volume | 378.3 ± 0.8 Å3 |
| Cell 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 significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Goodness-of-fit parameter for significantly intense reflections | 1.19 |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα |
| 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.