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Information card for entry 2242340
Preview
| Coordinates | 2242340.cif |
|---|---|
| Structure factors | 2242340.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2,3-Dimethoxy-<i>N</i>-(4-nitrophenyl)benzamide |
|---|---|
| Formula | C15 H14 N2 O5 |
| Calculated formula | C15 H14 N2 O5 |
| SMILES | O(c1c(C(=O)Nc2ccc(N(=O)=O)cc2)cccc1OC)C |
| Title of publication | Crystal structure of 2,3-dimethoxy-<i>N</i>-(4-nitrophenyl)benzamide |
| Authors of publication | Yaman, Mavişe; Almarhoon, Zainab M.; Çakmak, Şükriye; Kütük, Halil; Meral, Güngör; Dege, Necmi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 41 - 44 |
| a | 6.9293 ± 0.0005 Å |
| b | 7.327 ± 0.0005 Å |
| c | 15.7411 ± 0.0011 Å |
| α | 94.198 ± 0.006° |
| β | 96.189 ± 0.006° |
| γ | 116.053 ± 0.005° |
| Cell volume | 707.27 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0561 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2242340.cif 2242340.hkl |
| 205721 | 2018-01-26 | cif/ hkl/ Adding structures of 2242340 via cif-deposit CGI script. |
2242340.cif 2242340.hkl |
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Users of the data should acknowledge the original authors of the
structural data.