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Information card for entry 7241417
Preview
| Coordinates | 7241417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | ((E)-1-(2,6-dichlorophenyl)-3-((methylselanyl)methylene)indolin-2-one |
|---|---|
| Formula | C16 H11 Cl2 N O Se |
| Calculated formula | C16 H11 Cl2 N O Se |
| SMILES | [Se](/C=C/1c2c(N(c3c(Cl)cccc3Cl)C1=O)cccc2)C |
| Title of publication | Vilsmeier reagent, NaHSe and diclofenac acid chloride: one-pot synthesis of a novel selenoindolinone with potent anticancer activity |
| Authors of publication | Ruberte, Ana Carolina; Aydillo, Carlos; Sharma, Arun K.; Sanmartín, Carmen; Plano, Daniel |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 63 |
| Pages of publication | 38404 - 38408 |
| a | 8.3923 ± 0.0009 Å |
| b | 12.7253 ± 0.0014 Å |
| c | 14.656 ± 0.0015 Å |
| α | 90° |
| β | 90.072 ± 0.002° |
| γ | 90° |
| Cell volume | 1565.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241417.cif |
| 258491 | 2020-10-20 | cif/ Adding structures of 7241417 via cif-deposit CGI script. |
7241417.cif |
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Users of the data should acknowledge the original authors of the
structural data.