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Information card for entry 7239209
Preview
| Coordinates | 7239209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | '4-(4-ethylphenyl)-2-phenyl-3-thioxo-2,3-dihydro-1H-pyrrolo[3,4-c] quinolin-1-one' |
|---|---|
| Formula | C25 H18 N2 O S |
| Calculated formula | C25 H18 N2 O S |
| Title of publication | One-pot two-component tandem multiple transformations in the synthesis of N,4-diaryl-2,3-dihydropyrrolo[3,4-c]quinolin-1,3-diones and their 3-thioxo-analogues under neat conditions |
| Authors of publication | Avula, Sreenivas; Koppireddi, Satish; Komsani, Jayaram Reddy; Nanubolu, Jagadeesh Babu; Yadla, Rambabu |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 43 |
| Pages of publication | 20990 |
| a | 4.2876 ± 0.0005 Å |
| b | 19.102 ± 0.002 Å |
| c | 23.711 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1942 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0867 |
| Weighted residual factors for significantly intense reflections | 0.1938 |
| Weighted residual factors for all reflections included in the refinement | 0.1965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.315 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239209.cif |
| 244600 | 2019-11-28 | cif/ Adding structures of 7239209 via cif-deposit CGI script. |
7239209.cif |
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Users of the data should acknowledge the original authors of the
structural data.