Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238335
Preview
| Coordinates | 2238335.cif |
|---|---|
| Structure factors | 2238335.hkl |
| Original IUCr paper | HTML |
| Common name | phenylamino-3H-chromenedione |
|---|---|
| Chemical name | 3-[1-(2-Hydroxyanilino)ethylidene]-3<i>H</i>-chromen-2,4-dione |
| Formula | C17 H13 N O4 |
| Calculated formula | C17 H13 N O4 |
| SMILES | Oc1ccccc1N/C(=C1/C(=O)Oc2c(C1=O)cccc2)C |
| Title of publication | 3-[1-(2-Hydroxyanilino)ethylidene]-3<i>H</i>-chromen-2,4-dione |
| Authors of publication | Brahmia, Ameni; Ben Ayed, Taicir; Ben Hassen, Rached |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1296 |
| a | 12.5596 ± 0.0004 Å |
| b | 7.587 ± 0.0003 Å |
| c | 14.3433 ± 0.0006 Å |
| α | 90° |
| β | 94.66 ± 0.002° |
| γ | 90° |
| Cell volume | 1362.25 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1466 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1434 |
| Weighted residual factors for all reflections included in the refinement | 0.1941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 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 2/23/83. |
2238335.cif 2238335.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2238335.cif 2238335.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238335.cif 2238335.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238335.cif 2238335.hkl |
| 88174 | 2013-09-04 | cif/ Adding structures of 2238335 via cif-deposit CGI script. |
2238335.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.