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Information card for entry 2020255
Preview
| Coordinates | 2020255.cif |
|---|---|
| Structure factors | 2020255.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Benzyl-4,5,6-trimethoxyindoline-2,3-dione |
|---|---|
| Formula | C18 H17 N O5 |
| Calculated formula | C18 H17 N O5 |
| SMILES | N1(c2cc(OC)c(OC)c(OC)c2C(=O)C1=O)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 | 7.548 ± 0.005 Å |
| b | 13.066 ± 0.005 Å |
| c | 15.815 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1559.7 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020255.cif 2020255.hkl |
| 169160 | 2015-10-15 | cif/ hkl/ Adding structures of 2020255, 2020256 via cif-deposit CGI script. |
2020255.cif 2020255.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.