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Information card for entry 2243513
Preview
| Coordinates | 2243513.cif |
|---|---|
| Structure factors | 2243513.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-Dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione |
|---|---|
| Formula | C23 H20 N2 O2 |
| Calculated formula | C23 H20 N2 O2 |
| SMILES | O=C1N(c2c(cc(cc2)C)N(C1=O)Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione |
| Authors of publication | Cinar, Emine Berrin; Zouitini, Ayman; Kandri Rodi, Youssef; Ouzidan, Younes; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Saif, Eiad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| Pages of publication | 1361 - 1364 |
| a | 9.0844 ± 0.0012 Å |
| b | 18.7227 ± 0.0018 Å |
| c | 11.2708 ± 0.0014 Å |
| α | 90° |
| β | 104.848 ± 0.004° |
| γ | 90° |
| Cell volume | 1853 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1097 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1584 |
| Weighted residual factors for all reflections included in the refinement | 0.1876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254586 (current) | 2020-07-25 | cif/ hkl/ Adding structures of 2243513 via cif-deposit CGI script. |
2243513.cif 2243513.hkl |
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Users of the data should acknowledge the original authors of the
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