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Information card for entry 7042910
Preview
| Coordinates | 7042910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4-{[(2-methylpyridinyl)-E-imino]methyl}-benzene-1,3-diol |
|---|---|
| Formula | C13 H12 N2 O2 |
| Calculated formula | C13 H12 N2 O2 |
| SMILES | n1ccccc1C/N=C/c1c(O)cc(O)cc1 |
| Title of publication | Glycosylated metal chelators as anti-parasitic agents with tunable selectivity. |
| Authors of publication | Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 5297 - 5307 |
| a | 22.8835 ± 0.0013 Å |
| b | 5.7669 ± 0.0003 Å |
| c | 18.6703 ± 0.001 Å |
| α | 90° |
| β | 112.598 ± 0.0015° |
| γ | 90° |
| Cell volume | 2274.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.92 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7042910.cif |
| 196244 | 2017-05-05 | cif/ Adding structures of 7042907, 7042908, 7042909, 7042910 via cif-deposit CGI script. |
7042910.cif |
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Users of the data should acknowledge the original authors of the
structural data.