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Information card for entry 2023006
Preview
| Coordinates | 2023006.cif |
|---|---|
| Structure factors | 2023006.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[(<i>E</i>)-2-(2-Fluorophenyl)diazan-1-ylidene]naphthalen-2(1<i>H</i>)-one |
|---|---|
| Formula | C16 H11 F N2 O |
| Calculated formula | C16 H11 F N2 O |
| Title of publication | Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(<i>E</i>)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1<i>H</i>)-one. |
| Authors of publication | Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 2 |
| Pages of publication | 137 - 142 |
| a | 23.612 ± 0.003 Å |
| b | 7.2392 ± 0.0008 Å |
| c | 7.2122 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1232.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290334 (current) | 2024-03-05 | cif/ Updating files of 2023006 Original log message: Adding full bibliography for 2023006.cif. |
2023006.cif 2023006.hkl |
| 289076 | 2024-01-13 | cif/ hkl/ Adding structures of 2023006 via cif-deposit CGI script. |
2023006.cif 2023006.hkl |
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Users of the data should acknowledge the original authors of the
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