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Information card for entry 1551751
Preview
| Coordinates | 1551751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(propa-1,2-dienyl)-1H-benzo(d) imidazole-2-carbaldehyde |
|---|---|
| Formula | C11 H8 N2 O |
| Calculated formula | C11 H8 N2 O |
| SMILES | n1(c2c(nc1C=O)cccc2)C=C=C |
| Title of publication | Crystal Structure of 1-(Propa-1,2-dienyl)-1H-benzo(d)imidazole-2-carbaldehyde |
| Authors of publication | SELVANAYAGAM, S.; SRIDHAR, B.; RAVIKUMAR, K.; KATHIRAVAN, S.; RAGHUNATHAN, R. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2010 |
| Journal volume | 26 |
| Pages of publication | 59 |
| a | 3.9124 ± 0.0008 Å |
| b | 15.082 ± 0.003 Å |
| c | 15.407 ± 0.003 Å |
| α | 90° |
| β | 91.784 ± 0.004° |
| γ | 90° |
| Cell volume | 908.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216363 (current) | 2019-06-20 | cif/ Adding structures of 1551751 via cif-deposit CGI script. |
1551751.cif |
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