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Information card for entry 2241410
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| Coordinates | 2241410.cif |
|---|---|
| Structure factors | 2241410.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 4'-(2-Methoxyquinolin-3-yl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',3''-indoline]-1,3,2''-trione |
|---|---|
| Formula | C30 H23 N3 O4 |
| Calculated formula | C30 H23 N3 O4 |
| SMILES | c1(cc2ccccc2nc1OC)[C@H]1CN(C)C2(C(=O)c3ccccc3C2=O)[C@]21c1ccccc1NC2=O.c1(cc2ccccc2nc1OC)[C@@H]1CN(C)C2(C(=O)c3ccccc3C2=O)[C@@]21c1ccccc1NC2=O |
| Title of publication | Crystal structure of 4'-(2-methoxyquinolin-3-yl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',3''-indoline]-1,3,2''-trione |
| Authors of publication | Mathusalini, Sadasivam; Viswanathan, Vijayan; Mohan, Palathurai Subramaniam; Lin, Chia-Her; Velmurugan, Devadasan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1038 - o1039 |
| a | 10.9058 ± 0.0003 Å |
| b | 9.5178 ± 0.0005 Å |
| c | 23.8651 ± 0.0006 Å |
| α | 90° |
| β | 95.378 ± 0.002° |
| γ | 90° |
| Cell volume | 2466.27 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241410.cif 2241410.hkl |
| 181915 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241410.cif 2241410.hkl |
| 171502 | 2015-12-14 | cif/ hkl/ Adding structures of 2241410 via cif-deposit CGI script. |
2241410.cif 2241410.hkl |
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