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Information card for entry 1549349
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| Coordinates | 1549349.cif |
|---|---|
| Structure factors | 1549349.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate |
|---|---|
| Formula | C18 H16 N2 O3 |
| Calculated formula | C18 H16 N2 O3 |
| SMILES | O=c1n(c2ccccc2nc1c1ccccc1)CC(=O)OCC |
| Title of publication | Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate |
| Authors of publication | Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | x180519 |
| a | 18.171 ± 0.0005 Å |
| b | 4.9012 ± 0.0001 Å |
| c | 16.9492 ± 0.0005 Å |
| α | 90° |
| β | 91.923 ± 0.001° |
| γ | 90° |
| Cell volume | 1508.64 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207580 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 1549349 via cif-deposit CGI script. |
1549349.cif 1549349.hkl |
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Users of the data should acknowledge the original authors of the
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