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Information card for entry 2241762
Preview
| Coordinates | 2241762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H14 N2 O3 |
|---|---|
| Calculated formula | C20 H14 N2 O3 |
| SMILES | o1c(=O)c(cc2cc(ccc12)C)C(=O)Nc1cc2c(nccc2)cc1 |
| Title of publication | 6-Methyl-2-oxo-<i>N</i>-(quinolin-6-yl)-2<i>H</i>-chromene-3-carboxamide: crystal structure and Hirshfeld surface analysis |
| Authors of publication | Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 8 |
| Pages of publication | 1121 - 1125 |
| a | 7.799 ± 0.003 Å |
| b | 7.014 ± 0.003 Å |
| c | 27.64 ± 0.018 Å |
| α | 90° |
| β | 90.18 ± 0.06° |
| γ | 90° |
| Cell volume | 1512 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.68891 Å |
| Diffraction radiation type | synchrotron' |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241762.cif |
| 184419 | 2016-07-13 | cif/ hkl/ Adding structures of 2241762 via cif-deposit CGI script. |
2241762.cif |
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Users of the data should acknowledge the original authors of the
structural data.