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Information card for entry 2243841
Preview
| Coordinates | 2243841.cif |
|---|---|
| Structure factors | 2243841.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[(<i>E</i>)-2-(5-Chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one |
|---|---|
| Formula | C16 H11 Cl N2 O2 |
| Calculated formula | C16 H11 Cl N2 O2 |
| SMILES | Clc1ccc(O)c(N/N=C\2c3c(C=CC2=O)cccc3)c1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 1-[(<i>E</i>)-2-(5-chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one |
| Authors of publication | Bougueria, Hassiba; Chetioui, Souheyla; Bensegueni, Mohammed Abdellatif; Djukic, Jean-Pierre; Benarous, Nesrine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 672 - 676 |
| a | 32.83 ± 0.004 Å |
| b | 4.4049 ± 0.0005 Å |
| c | 18.844 ± 0.002 Å |
| α | 90° |
| β | 90.13 ± 0.003° |
| γ | 90° |
| Cell volume | 2725.1 ± 0.5 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265610 (current) | 2021-05-29 | cif/ hkl/ Adding structures of 2243841 via cif-deposit CGI script. |
2243841.cif 2243841.hkl |
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Users of the data should acknowledge the original authors of the
structural data.