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Information card for entry 2243884
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| Coordinates | 2243884.cif |
|---|---|
| Structure factors | 2243884.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Nitro-3-phenyl-9<i>H</i>-carbazole |
|---|---|
| Formula | C18 H12 N2 O2 |
| Calculated formula | C18 H12 N2 O2 |
| SMILES | O=N(=O)c1c(cc2c3c([nH]c2c1)cccc3)c1ccccc1 |
| Title of publication | Crystal structure, Hirshfeld surface and photophysical analysis of 2-nitro-3-phenyl-9<i>H</i>-carbazole |
| Authors of publication | Singh, Neetu; Noh, Ga Hee; Park, Hyoung-Ryun; Lee, Junseong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 9.266 ± 0.0003 Å |
| b | 12.959 ± 0.0004 Å |
| c | 13.101 ± 0.0004 Å |
| α | 96.2487 ± 0.0015° |
| β | 109.181 ± 0.0015° |
| γ | 106.106 ± 0.0014° |
| Cell volume | 1392.39 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267932 (current) | 2021-08-04 | cif/ hkl/ Adding structures of 2243884 via cif-deposit CGI script. |
2243884.cif 2243884.hkl |
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