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Information card for entry 2022858
Preview
| Coordinates | 2022858.cif |
|---|---|
| Structure factors | 2022858.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Ethoxy-1-ethyl-6-nitroquinoxalin-2(1<i>H</i>)-one |
|---|---|
| Formula | C12 H13 N3 O4 |
| Calculated formula | C12 H13 N3 O4 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 3-ethoxy-1-ethyl-6-nitroquinoxalin-2(1H)-one |
| Authors of publication | Yousra, Seqqat; El Ghayati, Lhoussaine; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 10 |
| a | 14.4848 ± 0.0003 Å |
| b | 12.5663 ± 0.0002 Å |
| c | 15.2708 ± 0.0003 Å |
| α | 90° |
| β | 116.424 ± 0.001° |
| γ | 90° |
| Cell volume | 2489.2 ± 0.08 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286287 (current) | 2023-09-09 | cif/ hkl/ Adding structures of 2022858 via cif-deposit CGI script. |
2022858.cif 2022858.hkl |
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Users of the data should acknowledge the original authors of the
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