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Information card for entry 1547185
Preview
| Coordinates | 1547185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H16 Cl2 N4 O2 |
|---|---|
| Calculated formula | C20 H16 Cl2 N4 O2 |
| SMILES | Clc1ccc(/N=N/c2c(nc(N)c(c2)C(=O)OCC)c2ccc(Cl)cc2)cc1 |
| Title of publication | Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents |
| Authors of publication | Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi |
| Journal of publication | Chemistry Central Journal |
| Year of publication | 2013 |
| Journal volume | 7 |
| Pages of publication | 123 |
| a | 7.7965 ± 0.0011 Å |
| b | 11.0035 ± 0.0013 Å |
| c | 12.2289 ± 0.0017 Å |
| α | 70.789 ± 0.008° |
| β | 89.602 ± 0.007° |
| γ | 85.231 ± 0.007° |
| Cell volume | 987 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.2135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547185.cif |
| 200925 | 2017-09-15 | cif/ Adding structures of 1547185 via cif-deposit CGI script. |
1547185.cif |
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Users of the data should acknowledge the original authors of the
structural data.