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Information card for entry 1547186
Preview
| Coordinates | 1547186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Hamada_F24_22_04_12 |
|---|---|
| Formula | C20 H16 Cl N5 O4 |
| Calculated formula | C20 H16 Cl N5 O4 |
| SMILES | Clc1ccc(c2nc(N)c(C(=O)OCC)cc2/N=N/c2ccc(N(=O)=O)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 | 27.918 ± 0.004 Å |
| b | 6.6325 ± 0.0008 Å |
| c | 24.125 ± 0.003 Å |
| α | 90° |
| β | 113.965 ± 0.009° |
| γ | 90° |
| Cell volume | 4082 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1154 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for significantly intense reflections | 0.1746 |
| Weighted residual factors for all reflections included in the refinement | 0.1984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1547186.cif |
| 200926 | 2017-09-15 | cif/ Adding structures of 1547186 via cif-deposit CGI script. |
1547186.cif |
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Users of the data should acknowledge the original authors of the
structural data.