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CIF Information Card
Information card for 2014663
2014662 << 2014663 >> 2014664Preview
|
Coordinates |
2014663.cif |
|
Structure factors |
2014663.hkl |
Structure parameters
| Common name | 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole- 5-carboxaldehyde |
| Formula | - C17 H19 Cl N2 O3 - |
| Calculated formula | - C17 H19 Cl N2 O3 - |
| Title of publication | C—Halogen...π dimer and C—H...π interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1<i>H</i>-imidazole-5-carboxaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1<i>H</i>-imidazole- 5-carboxaldehyde |
| Authors of publication | Nagaraj, B.; Narasimhamurthy, T.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | o177 - o180 |
| a | 12.4899 ± 0.0005 Å |
| b | 9.4887 ± 0.0003 Å |
| c | 14.1018 ± 0.0005 Å |
| α | 90° |
| β | 94.319 ± 0.001° |
| γ | 90° |
| Cell volume | 1666.5 ± 0.1 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |