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Information card for entry 2238622
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| Coordinates | 2238622.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | N-(2-nitrophenyl)-2-furancarboxamide |
|---|---|
| Chemical name | <i>N</i>-(2-Nitrophenyl)furan-2-carboxamide |
| Formula | C11 H8 N2 O4 |
| Calculated formula | C11 H8 N2 O4 |
| SMILES | o1cccc1C(=O)Nc1c(N(=O)=O)cccc1 |
| Title of publication | <i>N</i>-(2-Nitrophenyl)furan-2-carboxamide |
| Authors of publication | Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.; Gilmour, Denise; De Almeida Santos, Regina H. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 10 |
| Pages of publication | o1592 |
| a | 7.038 ± 0.0005 Å |
| b | 12.8072 ± 0.0009 Å |
| c | 11.3701 ± 0.0009 Å |
| α | 90° |
| β | 97.819 ± 0.006° |
| γ | 90° |
| Cell volume | 1015.34 ± 0.13 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0498 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238622.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238622.cif |
| 89564 | 2013-11-06 | cif/ Adding structures of 2238622 via cif-deposit CGI script. |
2238622.cif |
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Users of the data should acknowledge the original authors of the
structural data.