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Information card for entry 2023034
Preview
| Coordinates | 2023034.cif |
|---|---|
| Structure factors | 2023034.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Phenyl-1-{3-[(3-phenylquinoxalin-2-yl)oxy]propyl}-1,2-dihydroquinoxalin-2-one |
|---|---|
| Formula | C31 H24 N4 O2 |
| Calculated formula | C31 H24 N4 O2 |
| SMILES | O=c1n(c2ccccc2nc1c1ccccc1)CCCOc1nc2c(nc1c1ccccc1)cccc2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 3-phenyl-1-{3-[(3-phenyl-quinoxalin-2-yl)-oxy]prop-yl}-1,2-di-hydro-quinoxalin-2-one. |
| Authors of publication | Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 300 - 304 |
| a | 8.8038 ± 0.0006 Å |
| b | 10.2277 ± 0.0007 Å |
| c | 14.0937 ± 0.001 Å |
| α | 90.262 ± 0.001° |
| β | 96.63 ± 0.001° |
| γ | 108.395 ± 0.001° |
| Cell volume | 1195 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1212 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291110 (current) | 2024-04-06 | cif/ Updating files of 2023034 Original log message: Adding full bibliography for 2023034.cif. |
2023034.cif 2023034.hkl |
| 289904 | 2024-02-21 | cif/ hkl/ Adding structures of 2023034 via cif-deposit CGI script. |
2023034.cif 2023034.hkl |
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Users of the data should acknowledge the original authors of the
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