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Information card for entry 2312808
Preview
| Coordinates | 2312808.cif |
|---|---|
| Structure factors | 2312808.hkl |
| Original IUCr paper | HTML |
| Common name | 3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione hydrochloride |
|---|---|
| Chemical name | 1-(3-{3-[(2,4-Dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)-4-(3,4-dimethylphenyl)piperazin-1-ium chloride |
| Formula | C27 H35 Cl3 N4 O3 |
| Calculated formula | C27 H35 Cl3 N4 O3 |
| Title of publication | Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists. |
| Authors of publication | Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 5 |
| Pages of publication | 264 - 272 |
| a | 7.8861 ± 0.0001 Å |
| b | 13.2 ± 0.0001 Å |
| c | 15.0567 ± 0.0001 Å |
| α | 64.519 ± 0.001° |
| β | 80.332 ± 0.001° |
| γ | 85.943 ± 0.001° |
| Cell volume | 1394.79 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299923 (current) | 2025-06-03 | cif/ Updating files of 2312806, 2312807, 2312808, 2312809, 2312810, 2312811 Original log message: Adding full bibliography for 2312806--2312811.cif. |
2312808.cif 2312808.hkl |
| 299230 | 2025-04-09 | cif/ hkl/ Adding structures of 2312806, 2312807, 2312808, 2312809, 2312810, 2312811 via cif-deposit CGI script. |
2312808.cif 2312808.hkl |
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Users of the data should acknowledge the original authors of the
structural data.