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Information card for entry 2312721
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| Coordinates | 2312721.cif |
|---|---|
| Structure factors | 2312721.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-(Morpholine-4-carbonothioyl)-4-(4-phenylpiperazin-1-yl)picolinohydrazonamide 2-methyltetrahydrofuran hemisolvate |
|---|---|
| Formula | C47 H64 N14 O3 S2 |
| Calculated formula | C47 H64 N14 O3 S2 |
| Title of publication | Synthesis, structure and biological activity of new picolinohydrazonamide derivatives. |
| Authors of publication | Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| a | 16.45775 ± 0.00012 Å |
| b | 11.96434 ± 0.00009 Å |
| c | 23.87725 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4701.58 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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 |
|---|---|---|---|
| 296733 (current) | 2024-12-07 | cif/ hkl/ Adding structures of 2312720, 2312721, 2312722 via cif-deposit CGI script. |
2312721.cif 2312721.hkl |
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Users of the data should acknowledge the original authors of the
structural data.