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Information card for entry 2022852
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| Coordinates | 2022852.cif |
|---|---|
| Structure factors | 2022852.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-(2-oxo-2<i>H</i>-chromen-4-yl)benzoate |
|---|---|
| Formula | C17 H13 N O4 |
| Calculated formula | C17 H13 N O4 |
| Title of publication | Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate |
| Authors of publication | Hollauer, Henrique V. P.; Vilas Novas, Rachel C.; Guedes, Guilherme P.; Buarque, Camilla D.; Escobar, Lívia B. L. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 9 |
| Pages of publication | 842 - 846 |
| a | 12.7698 ± 0.0016 Å |
| b | 14.9212 ± 0.0018 Å |
| c | 7.1087 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1354.5 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0741 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285927 (current) | 2023-08-31 | cif/ hkl/ Adding structures of 2022852 via cif-deposit CGI script. |
2022852.cif 2022852.hkl |
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Users of the data should acknowledge the original authors of the
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