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Information card for entry 1558159
Preview
| Coordinates | 1558159.cif |
|---|---|
| Structure factors | 1558159.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole |
|---|---|
| Formula | C25 H18 Cl F2 N5 S |
| Calculated formula | C25 H18 Cl F2 N5 S |
| Title of publication | 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole |
| Authors of publication | Alanazi, Saud A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 5 |
| Pages of publication | x200700 |
| a | 16.9376 ± 0.0006 Å |
| b | 13.144 ± 0.0004 Å |
| c | 10.6399 ± 0.0004 Å |
| α | 90° |
| β | 92.891 ± 0.004° |
| γ | 90° |
| Cell volume | 2365.72 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0955 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252489 (current) | 2020-05-30 | cif/ hkl/ Adding structures of 1558159 via cif-deposit CGI script. |
1558159.cif 1558159.hkl |
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Users of the data should acknowledge the original authors of the
structural data.