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Information card for entry 2020256
Preview
| Coordinates | 2020256.cif |
|---|---|
| Structure factors | 2020256.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1-Benzyl-5-fluoroindoline-2,3-dione |
|---|---|
| Formula | C15 H10 F N O2 |
| Calculated formula | C15 H10 F N O2 |
| SMILES | Fc1ccc2N(C(=O)C(=O)c2c1)Cc1ccccc1 |
| Title of publication | Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione |
| Authors of publication | Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| a | 6.6616 ± 0.0012 Å |
| b | 4.8577 ± 0.001 Å |
| c | 19.099 ± 0.004 Å |
| α | 90° |
| β | 99.821 ± 0.006° |
| γ | 90° |
| Cell volume | 609 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0877 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020256.cif 2020256.hkl |
| 181872 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020256.cif 2020256.hkl |
| 169160 | 2015-10-15 | cif/ hkl/ Adding structures of 2020255, 2020256 via cif-deposit CGI script. |
2020256.cif 2020256.hkl |
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Users of the data should acknowledge the original authors of the
structural data.