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Information card for entry 2243924
Preview
| Coordinates | 2243924.cif |
|---|---|
| Structure factors | 2243924.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Nonyl-3-phenylquinoxalin-2-one |
|---|---|
| Formula | C23 H28 N2 O |
| Calculated formula | C23 H28 N2 O |
| Title of publication | Crystal structure, Hirshfeld surface analysis and density functional theory study of 1-nonyl-3-phenylquinoxalin-2-one |
| Authors of publication | Abad, Nadeem; Chkirate, Karim; Al-Ostoot, Fares Hezam; Van Meervelt, Luc; Lahmidi, Sanae; Ferfra, Souad; Ramli, Youssef; Essassi, El Mokhtar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 10 |
| Pages of publication | 1037 - 1042 |
| a | 5.2353 ± 0.0002 Å |
| b | 13.5065 ± 0.0005 Å |
| c | 14.3158 ± 0.0005 Å |
| α | 98.045 ± 0.003° |
| β | 98.327 ± 0.003° |
| γ | 91.255 ± 0.003° |
| Cell volume | 990.83 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.2178 |
| Weighted residual factors for all reflections included in the refinement | 0.2402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271919 (current) | 2022-01-07 | cif/ Updating files of 2243924 Original log message: Adding full bibliography for 2243924.cif. |
2243924.cif 2243924.hkl |
| 269308 | 2021-09-25 | cif/ hkl/ Adding structures of 2243924 via cif-deposit CGI script. |
2243924.cif 2243924.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.