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Information card for entry 2244214
Preview
| Coordinates | 2244214.cif |
|---|---|
| Structure factors | 2244214.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate |
|---|---|
| Formula | C28 H21 F N2 O7 S |
| Calculated formula | C28 H21 F N2 O7 S |
| SMILES | c12ccc(cc1c1cc(c(cc1n2S(=O)(=O)c1ccccc1)c1c(cc(cc1)F)N(=O)=O)C(=O)OCC)OC |
| Title of publication | Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole |
| Authors of publication | Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 12 |
| a | 8.1589 ± 0.0009 Å |
| b | 12.2053 ± 0.0013 Å |
| c | 12.9129 ± 0.0013 Å |
| α | 101.569 ± 0.004° |
| β | 93.086 ± 0.004° |
| γ | 92.481 ± 0.004° |
| Cell volume | 1256 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279229 (current) | 2022-11-11 | cif/ hkl/ Adding structures of 2244214, 2244215 via cif-deposit CGI script. |
2244214.cif 2244214.hkl |
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