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Information card for entry 2242467
Preview
| Coordinates | 2242467.cif |
|---|---|
| Structure factors | 2242467.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 4'-(2-Chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione |
|---|---|
| Formula | C32 H26 Cl N3 O2 |
| Calculated formula | C32 H26 Cl N3 O2 |
| SMILES | [C@]12([C@@]3([C@H](CN2C)c2c(cccc2)Cl)C(=O)c2ccc(c4ccccc4)nc2CC3)c2ccccc2NC1=O.[C@@]12([C@]3([C@@H](CN2C)c2c(cccc2)Cl)C(=O)c2ccc(c4ccccc4)nc2CC3)c2ccccc2NC1=O |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 4'-(2-chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione |
| Authors of publication | Vishnupriya, R.; Selva Meenatchi, C.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 5 |
| Pages of publication | 660 - 663 |
| a | 6.7722 ± 0.0004 Å |
| b | 11.5017 ± 0.0008 Å |
| c | 16.6305 ± 0.0011 Å |
| α | 80.224 ± 0.003° |
| β | 84.618 ± 0.003° |
| γ | 81.077 ± 0.003° |
| Cell volume | 1258.09 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
2242467.cif 2242467.hkl |
| 207559 | 2018-04-30 | cif/ hkl/ Adding structures of 2242467 via cif-deposit CGI script. |
2242467.cif 2242467.hkl |
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Users of the data should acknowledge the original authors of the
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