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Information card for entry 2242642
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| Coordinates | 2242642.cif |
|---|---|
| Structure factors | 2242642.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide |
|---|---|
| Formula | C17 H16 N4 O6 |
| Calculated formula | C17 H16 N4 O6 |
| SMILES | O=C(Nc1c(N(=O)=O)cccc1)CCCC(=O)Nc1c(N(=O)=O)cccc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide |
| Authors of publication | Salian, Akshatha R.; Foro, Sabine; Kumar, S. Madan; Thimme Gowda, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 10 |
| Pages of publication | 1455 - 1459 |
| a | 9.625 ± 0.001 Å |
| b | 9.673 ± 0.001 Å |
| c | 18.5 ± 0.002 Å |
| α | 95.37 ± 0.01° |
| β | 93.38 ± 0.01° |
| γ | 92.77 ± 0.01° |
| Cell volume | 1709.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1056 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1311 |
| Weighted residual factors for all reflections included in the refinement | 0.1577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211112 (current) | 2018-09-22 | cif/ hkl/ Adding structures of 2242642 via cif-deposit CGI script. |
2242642.cif 2242642.hkl |
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Users of the data should acknowledge the original authors of the
structural data.