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Information card for entry 7160353
Preview
| Coordinates | 7160353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,8-Diamino-5?-phenyl-1,4?-dihydrospiro[pyrazino[2,3-d]pyridazine-2,3?-pyrazol]-3(4H)-one |
|---|---|
| Formula | C20 H28 N10 O3 |
| Calculated formula | C20 H28 N10 O3 |
| Title of publication | ANRORC type rearrangement/intermolecular cyclocondensation cascade of 5,6-dicyano-3-(2-oxo-2-ethyl)pyrazin-2(1<i>H</i>)-ones with hydrazine hydrate for the synthesis of 2-(pyrazol-3-yl)imidazo[4,5-<i>d</i>]pyridazines. |
| Authors of publication | Mamedov, Vakhid A.; Galimullina, Venera R.; Qu, Zheng-Wang; Zhu, Hui; Syakaev, Victor V.; Nikolaeva, Dariya V.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.; Grimme, Stefan |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 9 |
| Pages of publication | 2180 - 2189 |
| a | 13.4925 ± 0.0009 Å |
| b | 8.4402 ± 0.0005 Å |
| c | 20.7218 ± 0.0014 Å |
| α | 90° |
| β | 103.011 ± 0.003° |
| γ | 90° |
| Cell volume | 2299.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1777 |
| Residual factor for significantly intense reflections | 0.1221 |
| Weighted residual factors for significantly intense reflections | 0.2046 |
| Weighted residual factors for all reflections included in the refinement | 0.2222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299122 (current) | 2025-04-05 | cif/ Updating files of 7160352, 7160353, 7160354 Original log message: Adding full bibliography for 7160352--7160354.cif. |
7160353.cif |
| 297515 | 2025-01-29 | cif/ Adding structures of 7160352, 7160353, 7160354 via cif-deposit CGI script. |
7160353.cif |
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