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Information card for entry 7134345
Preview
| Coordinates | 7134345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
|---|---|
| Formula | C16 H12 N2 O3 |
| Calculated formula | C16 H12 N2 O3 |
| Title of publication | Access to pyrido-pyrimidinone and imidazopyridine via Fe(iii)-mediated denitrogenative annulation of tetrazolopyridine with β-keto ester |
| Authors of publication | Sk, Asikul; Banerji, Biswadip |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 34 |
| Pages of publication | 6312 - 6315 |
| a | 10.7772 ± 0.0007 Å |
| b | 12.8183 ± 0.0008 Å |
| c | 8.8804 ± 0.0006 Å |
| α | 90° |
| β | 92.39 ± 0.002° |
| γ | 90° |
| Cell volume | 1225.72 ± 0.14 Å3 |
| Cell temperature | 108 K |
| Ambient diffraction temperature | 108 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0468 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300529 (current) | 2025-07-06 | cif/ Updating files of 7134345, 7134346 Original log message: Adding full bibliography for 7134345--7134346.cif. |
7134345.cif |
| 298574 | 2025-03-26 | cif/ Adding structures of 7134345, 7134346 via cif-deposit CGI script. |
7134345.cif |
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Users of the data should acknowledge the original authors of the
structural data.