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CIF Information Card
Information card for 1100665
1100664 << 1100665 >> 1100666Preview
|
Coordinates |
1100665.cif |
Structure parameters
| Common name | imidazole |
| Chemical name | 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde |
| Formula | - C8 H11 Cl N2 O - |
| Calculated formula | - C8 H11 Cl N2 O - |
| Title of publication | Microwave-Assisted Synthesis and Crystal Structure of 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde |
| Authors of publication | Beeranahally H. Doreswamy; Basappa; Madegowda Mahendra; Kempegowda Mantelingu; Sridhar M. Anandalwar; Javaregowda S. Prasad; Kanchugarakoppal S. Rangappa |
| Journal of publication | Analytical Sciences: X-ray Structure Analysis Online |
| Year of publication | 2003 |
| Journal volume | 19 |
| Pages of publication | x31 - x32 |
| a | 7.251 Å |
| b | 13.195 ± 0.001 Å |
| c | 9.835 ± 0.001 Å |
| α | 90° |
| β | 101.94° |
| γ | 90° |
| Cell volume | 920.62 ± 0.12 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0798 |
| Residual factor for observed reflections | 0.0651 |
| Weighted residual factors for the observed reflections | 0.189 |
| Weighted residual factors for all reflections included in the refinement | 0.2167 |
| Goodness-of-fit parameter for observed reflections | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |