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Information card for entry 2312729
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| Coordinates | 2312729.cif |
|---|---|
| Structure factors | 2312729.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(5-Nitrothiazol-2-yl)furan-2-carboxamide |
|---|---|
| Formula | C8 H5 N3 O4 S |
| Calculated formula | C8 H5 N3 O4 S |
| Title of publication | Synthesis, XRD structural analysis and theoretical studies of a potential inhibitor against rheumatoid arthritis (RA). |
| Authors of publication | Monge-Hoyos, Kevin; Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Ellena, Javier; Santiago, Pedro H. O. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 11 |
| Pages of publication | 707 - 715 |
| a | 12.8126 ± 0.0004 Å |
| b | 13.0399 ± 0.0005 Å |
| c | 5.6276 ± 0.0001 Å |
| α | 90° |
| β | 98.022 ± 0.002° |
| γ | 90° |
| Cell volume | 931.03 ± 0.05 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296744 (current) | 2024-12-07 | cif/ hkl/ Adding structures of 2312729 via cif-deposit CGI script. |
2312729.cif 2312729.hkl |
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Users of the data should acknowledge the original authors of the
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