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Information card for entry 2311122
Preview
| Coordinates | 2311122.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | carbazole |
|---|---|
| Chemical name | (<i>E</i>)-2-[(Furan-2-yl)methylidene]-7-methyl-2,3,4,9- tetrahydro-1<i>H</i>-carbazol-1-one |
| Formula | C18 H15 N O2 |
| Calculated formula | C18 H15 N O2 |
| SMILES | O=C1C(=C\c2occc2)\CCc2c3ccc(cc3[nH]c12)C |
| Title of publication | (E)-2-[(Furan-2-yl)methyl-idene]-7-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one. |
| Authors of publication | Thiruvalluvar, A.; Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 2 |
| Pages of publication | o150 |
| a | 6.3925 ± 0.0003 Å |
| b | 7.988 ± 0.0004 Å |
| c | 13.8629 ± 0.0008 Å |
| α | 83.151 ± 0.005° |
| β | 81.649 ± 0.004° |
| γ | 78.921 ± 0.004° |
| Cell volume | 684.28 ± 0.06 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311122.cif |
| 245594 | 2019-12-25 | cif/ Adding structures of 2311122 via cif-deposit CGI script. |
2311122.cif |
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Users of the data should acknowledge the original authors of the
structural data.