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Information card for entry 1543473
Preview
| Coordinates | 1543473.cif |
|---|---|
| Structure factors | 1543473.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Benzyl-5-chloroindoline-2,3-dione |
|---|---|
| Formula | C15 H10 Cl N O2 |
| Calculated formula | C15 H10 Cl N O2 |
| SMILES | Clc1cc2c(N(Cc3ccccc3)C(=O)C2=O)cc1 |
| Title of publication | 1-Benzyl-5-chloroindoline-2,3-dione |
| Authors of publication | Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160854 |
| a | 4.4576 ± 0.0002 Å |
| b | 27.6646 ± 0.0011 Å |
| c | 20.953 ± 0.0008 Å |
| α | 90° |
| β | 93.87 ± 0.002° |
| γ | 90° |
| Cell volume | 2577.98 ± 0.18 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.0738 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183685 (current) | 2016-06-18 | cif/ hkl/ Adding structures of 1543473 via cif-deposit CGI script. |
1543473.cif 1543473.hkl |
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Users of the data should acknowledge the original authors of the
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