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Information card for entry 7059192
Preview
| Coordinates | 7059192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Azilsartan-Piperazine-water |
|---|---|
| Chemical name | '2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:water(1:1:1) ' |
| Formula | C29 H32 N6 O6 |
| Calculated formula | C29 H32 N6 O6 |
| Title of publication | Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability |
| Authors of publication | Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 3 |
| Pages of publication | 852 - 860 |
| a | 11.3028 ± 0.0014 Å |
| b | 14.3949 ± 0.0018 Å |
| c | 16.962 ± 0.002 Å |
| α | 90° |
| β | 97.634 ± 0.002° |
| γ | 90° |
| Cell volume | 2735.3 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1253 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.2017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059192.cif |
| 257900 | 2020-10-06 | cif/ Updating files of 7059191, 7059192, 7059193 Original log message: Adding full bibliography for 7059191--7059193.cif. |
7059192.cif |
| 247792 | 2020-02-04 | cif/ Updating files of 7059191, 7059192, 7059193 Original log message: Adding full bibliography for 7059191--7059193.cif. |
7059192.cif |
| 246394 | 2020-01-01 | cif/ Adding structures of 7059191, 7059192, 7059193 via cif-deposit CGI script. |
7059192.cif |
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