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Information card for entry 2243870
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| Coordinates | 2243870.cif |
|---|---|
| Structure factors | 2243870.hkl |
| Original IUCr paper | HTML |
| Common name | 9H-carbazole |
|---|---|
| Chemical name | 1-Hydroxy-8-methyl-9<i>H</i>-carbazole-2-carbaldehyde |
| Formula | C14 H11 N O2 |
| Calculated formula | C14 H11 N O2 |
| SMILES | Cc1cccc2c1[nH]c1c(c(ccc21)C=O)O |
| Title of publication | Synthesis and crystal structure of 1-hydroxy-8-methyl-9<i>H</i>-carbazole-2-carbaldehyde |
| Authors of publication | Thiruvalluvar, Aravazhi Amalan; Sridharan, M.; Rajendra Prasad, K. J.; Zeller, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 28.29 ± 0.005 Å |
| b | 3.9052 ± 0.0007 Å |
| c | 20.264 ± 0.003 Å |
| α | 90° |
| β | 105.817 ± 0.002° |
| γ | 90° |
| Cell volume | 2154 ± 0.6 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 | 0.0693 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267616 (current) | 2021-07-17 | cif/ hkl/ Adding structures of 2243870 via cif-deposit CGI script. |
2243870.cif 2243870.hkl |
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