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Information card for entry 2242975
Preview
| Coordinates | 2242975.cif |
|---|---|
| Structure factors | 2242975.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-Chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline |
|---|---|
| Formula | C16 H12 Cl N3 |
| Calculated formula | C16 H12 Cl N3 |
| SMILES | Clc1nc2c(cc1/C=N/Nc1ccccc1)cccc2 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline |
| Authors of publication | Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; El Ammari, Lahcen; Ketatni, El Mostafa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| Pages of publication | 964 - 968 |
| a | 6.2114 ± 0.0004 Å |
| b | 19.4553 ± 0.0011 Å |
| c | 11.252 ± 0.0007 Å |
| α | 90° |
| β | 91.883 ± 0.002° |
| γ | 90° |
| Cell volume | 1359.01 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215741 (current) | 2019-06-07 | cif/ hkl/ Adding structures of 2242975 via cif-deposit CGI script. |
2242975.cif 2242975.hkl |
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Users of the data should acknowledge the original authors of the
structural data.