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Information card for entry 2003785
Preview
| Coordinates | 2003785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 N4 O3 S |
|---|---|
| Calculated formula | C13 H16 N4 O3 S |
| SMILES | O=CNc1nc(N(CC)CC)c2c(n1)sc(c2)C(=O)OC |
| Title of publication | Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate |
| Authors of publication | Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 1607 - 1609 |
| a | 7.214 ± 0.001 Å |
| b | 10.513 ± 0.001 Å |
| c | 19.459 ± 0.002 Å |
| α | 90° |
| β | 90.81 ± 0.01° |
| γ | 90° |
| Cell volume | 1475.7 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.025 |
| Goodness-of-fit parameter for significantly intense reflections | 0.85 |
| Diffraction radiation wavelength | 0.71073 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
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