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Information card for entry 2240722
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| Coordinates | 2240722.cif |
|---|---|
| Structure factors | 2240722.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Ethylspiro[imidazolidine-4,1'-indane]-2,5-dione |
|---|---|
| Formula | C13 H14 N2 O2 |
| Calculated formula | C13 H14 N2 O2 |
| SMILES | O=C1N(C(=O)NC21c1ccccc1CC2)CC |
| Title of publication | Crystal structure of 1-ethylspiro[imidazolidine-4,1'-indane]-2,5-dione |
| Authors of publication | Hussein, Wahraan Mohammed; Theodore, Cynthia E.; Benaka Prasad, S. B.; Madaiah, M.; Naveen, S.; Lokanath, N. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o954 |
| a | 13.7183 ± 0.001 Å |
| b | 6.204 ± 0.0005 Å |
| c | 15.1944 ± 0.0011 Å |
| α | 90° |
| β | 112.865 ± 0.003° |
| γ | 90° |
| Cell volume | 1191.56 ± 0.16 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240722.cif 2240722.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240722.cif 2240722.hkl |
| 136881 | 2015-05-18 | cif/ hkl/ Adding structures of 2240722 via cif-deposit CGI script. |
2240722.cif 2240722.hkl |
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Users of the data should acknowledge the original authors of the
structural data.