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Information card for entry 1547187
Preview
| Coordinates | 1547187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H20 Cl2 N4 O4 |
|---|---|
| Calculated formula | C22 H20 Cl2 N4 O4 |
| SMILES | Clc1ccc(cc1)c1nc(N)c(cc1/N=N/c1cccc(Cl)c1)C(=O)OCC.OC(=O)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 | 7.5481 ± 0.0006 Å |
| b | 21.3823 ± 0.0013 Å |
| c | 27.862 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4496.8 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.1965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| 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. |
1547187.cif |
| 200927 | 2017-09-15 | cif/ Adding structures of 1547187 via cif-deposit CGI script. |
1547187.cif |
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Users of the data should acknowledge the original authors of the
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