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Information card for entry 2012812
Preview
| Coordinates | 2012812.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide |
|---|---|
| Formula | C18 H18 N2 O2 |
| Calculated formula | C18 H18 N2 O2 |
| SMILES | C1(N(C(=O)CC1)Cc1ccccc1)(C(=O)N)c1ccccc1 |
| Title of publication | 1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid |
| Authors of publication | Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 7 |
| Pages of publication | o399 - o401 |
| a | 11.959 ± 0.002 Å |
| b | 10.303 ± 0.002 Å |
| c | 21.489 ± 0.004 Å |
| α | 90° |
| β | 145.05 ± 0.03° |
| γ | 90° |
| Cell volume | 1516.8 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.117 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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