Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547191
Preview
| Coordinates | 1547191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H19 Cl2 N5 O6 |
|---|---|
| Calculated formula | C24 H19 Cl2 N5 O6 |
| SMILES | Clc1ccc(N(=O)=O)cc1/N=N/c1c(nc(N(C(=O)C)C(=O)C)c(c1)C(=O)OCC)c1ccc(Cl)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 | 8.0271 ± 0.001 Å |
| b | 14.5864 ± 0.0013 Å |
| c | 21.531 ± 0.003 Å |
| α | 90° |
| β | 97.548 ± 0.007° |
| γ | 90° |
| Cell volume | 2499.1 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200931 (current) | 2017-09-15 | cif/ Adding structures of 1547191 via cif-deposit CGI script. |
1547191.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.