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Information card for entry 1548842
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| Coordinates | 1548842.cif |
|---|---|
| Structure factors | 1548842.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile |
|---|---|
| Formula | C23 H15 N3 O S |
| Calculated formula | C23 H15 N3 O S |
| Title of publication | (<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile |
| Authors of publication | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x180171 |
| a | 19.2666 ± 0.001 Å |
| b | 9.7769 ± 0.0004 Å |
| c | 20.3265 ± 0.0012 Å |
| α | 90° |
| β | 94.423 ± 0.005° |
| γ | 90° |
| Cell volume | 3817.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1263 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206013 (current) | 2018-02-01 | cif/ hkl/ Adding structures of 1548842 via cif-deposit CGI script. |
1548842.cif 1548842.hkl |
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Users of the data should acknowledge the original authors of the
structural data.