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Information card for entry 8106235
Preview
| Coordinates | 8106235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 N6 O2 S2 |
|---|---|
| Calculated formula | C28 H20 N6 O2 S2 |
| Title of publication | Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2 |
| Authors of publication | Baashen, Mohammed; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 617 - 619 |
| a | 10.6738 ± 0.0006 Å |
| b | 11.7869 ± 0.0007 Å |
| c | 12.5381 ± 0.0007 Å |
| α | 112.842 ± 0.006° |
| β | 91.963 ± 0.004° |
| γ | 116.129 ± 0.006° |
| Cell volume | 1264.38 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0746 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279533 (current) | 2022-11-24 | cif/ Adding structures of 8106235 via cif-deposit CGI script. |
8106235.cif |
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Users of the data should acknowledge the original authors of the
structural data.