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Information card for entry 2311301
Preview
| Coordinates | 2311301.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1'-Ethylspiro[chroman-4,4'-imidazolidine]-2',5'-dione |
|---|---|
| Formula | C13 H14 N2 O3 |
| Calculated formula | C13 H14 N2 O3 |
| SMILES | O1c2ccccc2C2(C(=O)N(CC)C(=O)N2)CC1 |
| Title of publication | Crystal structure of 1'-ethyl-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: a hydantoine derivative. |
| Authors of publication | Benaka Prasad, S. B.; Naveen, S.; Madaiah, M.; Lokanath, N. K.; Warad, Ismail; Abdoh, Muneer |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | Pt 10 |
| Pages of publication | o705 - 6 |
| a | 10.2314 ± 0.0016 Å |
| b | 11.0693 ± 0.0018 Å |
| c | 11.3254 ± 0.0019 Å |
| α | 91.736 ± 0.008° |
| β | 98.695 ± 0.008° |
| γ | 105.345 ± 0.008° |
| Cell volume | 1219.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0999 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1704 |
| Weighted residual factors for all reflections included in the refinement | 0.1853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311301.cif |
| 245774 | 2019-12-25 | cif/ Adding structures of 2311301 via cif-deposit CGI script. |
2311301.cif |
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Users of the data should acknowledge the original authors of the
structural data.