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Information card for entry 2019948
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| Coordinates | 2019948.cif |
|---|---|
| Structure factors | 2019948.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl <i>N</i>-(2-acetylphenyl)oxalamate |
|---|---|
| Formula | C12 H13 N O4 |
| Calculated formula | C12 H13 N O4 |
| Title of publication | Carbonyl‒carbonyl interactions and amide π-stacking as the directing motifs of the supramolecular assembly of ethyl <i>N</i>-(2-acetylphenyl)oxalamate in a synperiplanar conformation |
| Authors of publication | Cabrera-Pérez, Laura C.; García-Báez, Efrén V.; Franco-Hernández, Marina O.; Martínez-Martínez, Francisco J.; Padilla-Martínez, Itzia I. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 381 - 385 |
| a | 16.667 ± 0.003 Å |
| b | 6.48 ± 0.001 Å |
| c | 10.241 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1106.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019948.cif 2019948.hkl |
| 136368 | 2015-05-13 | cif/ hkl/ Adding structures of 2019948 via cif-deposit CGI script. |
2019948.cif 2019948.hkl |
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Users of the data should acknowledge the original authors of the
structural data.