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Information card for entry 2241641
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| Coordinates | 2241641.cif |
|---|---|
| Structure factors | 2241641.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one |
|---|---|
| Formula | C23 H14 Cl F O |
| Calculated formula | C23 H14 Cl F O |
| SMILES | Fc1cccc(Cl)c1/C=C/C(=O)c1c2ccccc2cc2ccccc12 |
| Title of publication | (<i>E</i>)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis |
| Authors of publication | Abdullah, Amzar Ahlami; Hassan, Nur Hafiq Hanif; Arshad, Suhana; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 648 - 651 |
| a | 9.2846 ± 0.0009 Å |
| b | 9.8777 ± 0.001 Å |
| c | 10.3624 ± 0.0011 Å |
| α | 94.364 ± 0.002° |
| β | 113.352 ± 0.0019° |
| γ | 92.866 ± 0.002° |
| Cell volume | 866.63 ± 0.15 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181992 (current) | 2016-04-09 | cif/ hkl/ Adding structures of 2241641 via cif-deposit CGI script. |
2241641.cif 2241641.hkl |
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Users of the data should acknowledge the original authors of the
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