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Information card for entry 7224596
Preview
| Coordinates | 7224596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N1-(2-carboxyphenyl)-N2-(4-bromophenyl)oxalamide |
|---|---|
| Formula | C15 H11 Br N2 O4 |
| Calculated formula | C15 H11 Br N2 O4 |
| SMILES | c1cc(Br)ccc1NC(=O)C(=O)Nc1c(C(=O)O)cccc1 |
| Title of publication | A novel acid-catalyzed rearrangement of 2-substituted-3-(2-nitrophenyl)oxiranes for the synthesis of di- and mono-oxalamides |
| Authors of publication | Mamedov, Vakhid A.; Mamedova, Vera L.; Khikmatova, Gul’nas Z.; Mironova, Ekaterina V.; Krivolapov, Dmitry; Bazanova, Olga B.; Chachkov, Denis V.; Katsyuba, Sergey; Rizvanov, Ildar Kh.; Latypov, Shamil Kamil'evich |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.555 ± 0.003 Å |
| b | 11.21 ± 0.003 Å |
| c | 15.335 ± 0.004 Å |
| α | 108.324 ± 0.003° |
| β | 97.068 ± 0.004° |
| γ | 105.848 ± 0.004° |
| Cell volume | 1460.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224596.cif |
| 182221 | 2016-04-20 | cif/7 Fixing Z values and formulae |
7224596.cif |
| 178165 | 2016-03-12 | cif/ Adding structures of 7224596, 7224597 via cif-deposit CGI script. |
7224596.cif |
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Users of the data should acknowledge the original authors of the
structural data.