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Information card for entry 2244087
Preview
| Coordinates | 2244087.cif |
|---|---|
| Structure factors | 2244087.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Amino-5'-bromo-2'-oxo-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indoline]-6,8-dicarbonitrile dimethyl sulfoxide disolvate |
|---|---|
| Formula | C20 H23 Br N6 O3 S2 |
| Calculated formula | C20 H23 Br N6 O3 S2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 5-amino-5'-bromo-2'-oxo-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indoline]-6,8-dicarbonitrile dimethyl sulfoxide disolvate |
| Authors of publication | Naghiyev, Farid N.; Khrustalev, Victor N.; Novikov, Anton P.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, Ibrahim G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 6 |
| a | 10.394 ± 0.0001 Å |
| b | 26.2421 ± 0.0002 Å |
| c | 8.986 ± 0.0001 Å |
| α | 90° |
| β | 108.056 ± 0.001° |
| γ | 90° |
| Cell volume | 2330.32 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275319 (current) | 2022-05-11 | cif/ hkl/ Adding structures of 2244087 via cif-deposit CGI script. |
2244087.cif 2244087.hkl |
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