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Information card for entry 2242558
Preview
| Coordinates | 2242558.cif |
|---|---|
| Structure factors | 2242558.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-2-Ethyl-<i>N</i>-(4-nitrobenzylidene)aniline |
|---|---|
| Formula | C15 H14 N2 O2 |
| Calculated formula | C15 H14 N2 O2 |
| Title of publication | The crystal structure of (<i>E</i>)-2-ethyl-<i>N</i>-(4-nitrobenzylidene)aniline: three-dimensional supramolecular assembly mediated by C—H···O hydrogen bonds and nitro···π(arene) interactions |
| Authors of publication | Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 8 |
| Pages of publication | 1071 - 1074 |
| a | 7.6419 ± 0.0007 Å |
| b | 11.8889 ± 0.0013 Å |
| c | 14.8082 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1345.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242558.cif 2242558.hkl |
| 208968 | 2018-07-11 | cif/ hkl/ Adding structures of 2242558 via cif-deposit CGI script. |
2242558.cif 2242558.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.