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Information card for entry 2241347
Preview
| Coordinates | 2241347.cif |
|---|---|
| Structure factors | 2241347.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-(4-Methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde |
|---|---|
| Formula | C15 H11 N3 O4 |
| Calculated formula | C15 H11 N3 O4 |
| SMILES | c1c(ccc2n1c(C=O)c(c1ccc(cc1)OC)n2)N(=O)=O |
| Title of publication | Crystal structure of 2-(4-methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde |
| Authors of publication | Koudad, Mohamed; Elaatiaoui, Abdelmalik; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o979 - o980 |
| a | 10.8516 ± 0.0006 Å |
| b | 12.071 ± 0.0006 Å |
| c | 10.2631 ± 0.0005 Å |
| α | 90° |
| β | 93.2 ± 0.002° |
| γ | 90° |
| Cell volume | 1342.26 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0881 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| 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. |
2241347.cif 2241347.hkl |
| 181914 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241347.cif 2241347.hkl |
| 170464 | 2015-11-22 | cif/ hkl/ Adding structures of 2241347 via cif-deposit CGI script. |
2241347.cif 2241347.hkl |
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Users of the data should acknowledge the original authors of the
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