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Information card for entry 7222052
Preview
| Coordinates | 7222052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H19 N5 O |
|---|---|
| Calculated formula | C22 H19 N5 O |
| SMILES | O=C1N(c2ccccc2C21C(=C(n1c(nc3c1cccc3)C2)N)C#N)CCC |
| Title of publication | A novel one-pot multi-component synthesis of 3, 3’disubstituted oxindoles and spirooxindoles scaffold via Sn-catalyzed C(sp3)-H functionalization of azaarenes by sequential Knoevenagel-Michael-Cyclization reaction |
| Authors of publication | Mulla, Shafeek Abdul Rashid; Chavan, Santosh S.; Pathan, Mohsinkhan Y.; Thorat, Sridhar Hanamant; Gonnade, Rajesh G. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 12.3799 ± 0.0012 Å |
| b | 13.0555 ± 0.0012 Å |
| c | 11.5532 ± 0.0011 Å |
| α | 90° |
| β | 98.57 ± 0.005° |
| γ | 90° |
| Cell volume | 1846.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222052.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222052.cif |
| 155206 | 2015-09-08 | cif/ Adding structures of 7222051, 7222052 via cif-deposit CGI script. |
7222052.cif |
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Users of the data should acknowledge the original authors of the
structural data.