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Information card for entry 2242969
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| Coordinates | 2242969.cif |
|---|---|
| Structure factors | 2242969.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-3-(4-Chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
|---|---|
| Formula | C17 H14 Cl F O3 |
| Calculated formula | C17 H14 Cl F O3 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(4-chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| Authors of publication | Çelikesir, Sevim Türktekin; Sheshadri, S. N.; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| Pages of publication | 942 - 945 |
| a | 14.9088 ± 0.0013 Å |
| b | 5.7669 ± 0.0005 Å |
| c | 17.9074 ± 0.0015 Å |
| α | 90° |
| β | 104.491 ± 0.002° |
| γ | 90° |
| Cell volume | 1490.7 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215711 (current) | 2019-06-05 | cif/ hkl/ Adding structures of 2242969 via cif-deposit CGI script. |
2242969.cif 2242969.hkl |
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Users of the data should acknowledge the original authors of the
structural data.