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Information card for entry 2241740
Preview
| Coordinates | 2241740.cif |
|---|---|
| Structure factors | 2241740.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide |
|---|---|
| Formula | C10 H7 N3 O4 S |
| Calculated formula | C10 H7 N3 O4 S |
| SMILES | s1c(ccc1)C(=O)N/N=C/c1oc(N(=O)=O)cc1 |
| Title of publication | <i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis |
| Authors of publication | Cardoso, Laura N. F.; Nogueira, Thais C. M.; Wardell, James L.; Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Jotani, Mukesh M.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 1025 - 1031 |
| a | 17.4072 ± 0.0016 Å |
| b | 17.4072 ± 0.0016 Å |
| c | 14.4881 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4390 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 110 |
| Hermann-Mauguin space group symbol | I 41 c d |
| Hall space group symbol | I 4bw -2c |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
2241740.cif 2241740.hkl |
| 183939 | 2016-06-26 | cif/ hkl/ Adding structures of 2241740 via cif-deposit CGI script. |
2241740.cif 2241740.hkl |
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Users of the data should acknowledge the original authors of the
structural data.