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Information card for entry 1547188
Preview
| Coordinates | 1547188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H16 Cl2 N6 O3 S |
|---|---|
| Calculated formula | C20 H16 Cl2 N6 O3 S |
| SMILES | Clc1ccc(N(=O)=O)cc1/N=N/c1c(nc(N)c(c1)C#N)c1ccc(Cl)cc1.S(=O)(C)C |
| 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 | 8.918 ± 0.001 Å |
| b | 10.6964 ± 0.0011 Å |
| c | 13.2165 ± 0.0014 Å |
| α | 73.044 ± 0.006° |
| β | 81.609 ± 0.006° |
| γ | 70.078 ± 0.005° |
| Cell volume | 1132.2 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.1891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| 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. |
1547188.cif |
| 200928 | 2017-09-15 | cif/ Adding structures of 1547188 via cif-deposit CGI script. |
1547188.cif |
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Users of the data should acknowledge the original authors of the
structural data.