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Information card for entry 2023446
Preview
| Coordinates | 2023446.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Methyl (<i>Z</i>)-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]-2-(3-nitrophenyl)acetate |
|---|---|
| Formula | C16 H15 N3 O5 |
| Calculated formula | C16 H15 N3 O5 |
| SMILES | O=C(OC)/C(=N\Nc1ccc(OC)cc1)c1cc(N(=O)=O)ccc1 |
| Title of publication | Crystal structures and Hirshfeld surface analyses of methyl (2<i>Z</i>)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2<i>E</i>)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2<i>Z</i>)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate. |
| Authors of publication | Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 4 |
| Pages of publication | 314 - 323 |
| a | 18.8022 ± 0.0005 Å |
| b | 21.9649 ± 0.0006 Å |
| c | 7.43092 ± 0.00015 Å |
| α | 90° |
| β | 96.156 ± 0.002° |
| γ | 90° |
| Cell volume | 3051.19 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299526 (current) | 2025-05-03 | cif/ Updating files of 2023444, 2023445, 2023446, 2023447, 2023448 Original log message: Adding full bibliography for 2023444--2023448.cif. |
2023446.cif |
| 298462 | 2025-03-15 | cif/ Adding structures of 2023444, 2023445, 2023446, 2023447, 2023448 via cif-deposit CGI script. |
2023446.cif |
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