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Information card for entry 2241042
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| Coordinates | 2241042.cif |
|---|---|
| Structure factors | 2241042.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate |
|---|---|
| Formula | C20 H27 Cl N2 O3 |
| Calculated formula | C20 H27 Cl N2 O3 |
| SMILES | Clc1ccc([C@H]2N([C@H](C(=O)OCC)C(=O)N2CCC)C2CCCC2)cc1.Clc1ccc([C@@H]2N([C@@H](C(=O)OCC)C(=O)N2CCC)C2CCCC2)cc1 |
| Title of publication | Crystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate |
| Authors of publication | Tabarki, Mohamed Ali; Ben Smida, Youssef; Guesmi, Abderrahmen; Besbes, Rafâa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o682 - o683 |
| a | 9.083 ± 0.007 Å |
| b | 11.201 ± 0.006 Å |
| c | 11.846 ± 0.006 Å |
| α | 117.75 ± 0.04° |
| β | 90.49 ± 0.05° |
| γ | 104.08 ± 0.06° |
| Cell volume | 1024.1 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241042.cif 2241042.hkl |
| 153602 | 2015-08-22 | cif/ hkl/ Adding structures of 2241042 via cif-deposit CGI script. |
2241042.cif 2241042.hkl |
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Users of the data should acknowledge the original authors of the
structural data.