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Information card for entry 2239547
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| Coordinates | 2239547.cif |
|---|---|
| Structure factors | 2239547.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-(4-Hydroxyphenyl)imidazolidine-2,4-dione |
|---|---|
| Formula | C9 H8 N2 O3 |
| Calculated formula | C9 H8 N2 O3 |
| SMILES | N1C(=O)NC(=O)C1c1ccc(O)cc1 |
| Title of publication | 5-(4-Hydroxyphenyl)imidazolidine-2,4-dione |
| Authors of publication | Xue, Jin-hui; Qin, Yong-qi; Zhang, Zi-feng; Qiao, Yuan-biao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o649 |
| a | 10.3694 ± 0.0011 Å |
| b | 6.9914 ± 0.0008 Å |
| c | 12.3857 ± 0.0013 Å |
| α | 90° |
| β | 105.619 ± 0.002° |
| γ | 90° |
| Cell volume | 864.76 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0601 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239547.cif 2239547.hkl |
| 181314 | 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 2/23/95. |
2239547.cif 2239547.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. |
2239547.cif 2239547.hkl |
| 113315 | 2014-05-10 | cif/ hkl/ Adding structures of 2239547 via cif-deposit CGI script. |
2239547.cif 2239547.hkl |
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Users of the data should acknowledge the original authors of the
structural data.