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Information card for entry 1546721
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| Coordinates | 1546721.cif |
|---|---|
| Structure factors | 1546721.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate |
|---|---|
| Formula | C19 H18 N2 O4 |
| Calculated formula | C19 H18 N2 O4 |
| SMILES | O=C1N(C(=O)NC1(c1ccccc1)c1ccccc1)CC(=O)OCC |
| Title of publication | Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate |
| Authors of publication | Ramli, Youssef; Akrad, Rachida; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x170098 |
| a | 8.5041 ± 0.0005 Å |
| b | 8.6959 ± 0.0005 Å |
| c | 12.5024 ± 0.0008 Å |
| α | 71.002 ± 0.001° |
| β | 88.165 ± 0.001° |
| γ | 72.572 ± 0.001° |
| Cell volume | 831.87 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199317 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546721 via cif-deposit CGI script. |
1546721.cif 1546721.hkl |
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Users of the data should acknowledge the original authors of the
structural data.