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Information card for entry 2238007
Preview
| Coordinates | 2238007.cif |
|---|---|
| Structure factors | 2238007.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 3-[2-(3-Phenyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]-1,3-oxazolidin-2-one |
|---|---|
| Formula | C19 H17 N3 O3 |
| Calculated formula | C19 H17 N3 O3 |
| SMILES | O=C1OCCN1CCn1c(=O)c(nc2c1cccc2)c1ccccc1 |
| Title of publication | 3-[2-(3-Phenyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]-1,3-oxazolidin-2-one |
| Authors of publication | Daouda, Ballo; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o662 |
| a | 9.6314 ± 0.0005 Å |
| b | 16.6596 ± 0.0009 Å |
| c | 10.0749 ± 0.0005 Å |
| α | 90° |
| β | 98.097 ± 0.003° |
| γ | 90° |
| Cell volume | 1600.46 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238007.cif 2238007.hkl |
| 181302 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/80. |
2238007.cif 2238007.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238007.cif 2238007.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238007.cif 2238007.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238007.cif 2238007.hkl |
| 86706 | 2013-07-11 | cif/ Adding structures of 2238007 via cif-deposit CGI script. |
2238007.cif |
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Users of the data should acknowledge the original authors of the
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