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Information card for entry 1545044
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| Coordinates | 1545044.cif |
|---|---|
| Structure factors | 1545044.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione |
|---|---|
| Formula | C11 H8 F N O2 |
| Calculated formula | C11 H8 F N O2 |
| SMILES | Fc1ccc2N(C(=O)C(=O)c2c1)CC=C |
| Title of publication | 5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione |
| Authors of publication | Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x170028 |
| a | 31.531 ± 0.003 Å |
| b | 4.2752 ± 0.0004 Å |
| c | 14.108 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1901.8 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.1771 |
| Weighted residual factors for all reflections included in the refinement | 0.1888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190500 (current) | 2017-01-14 | cif/ hkl/ Adding structures of 1545044 via cif-deposit CGI script. |
1545044.cif 1545044.hkl |
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Users of the data should acknowledge the original authors of the
structural data.