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Information card for entry 1540746
Preview
| Coordinates | 1540746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate |
|---|---|
| Chemical name | Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate |
| Formula | C19 H14 F2 N2 O3 |
| Calculated formula | C19 H14 F2 N2 O3 |
| SMILES | c1(ccc(cc1)c1cnc(C(=O)c2ccc(cc2)F)n1CC(=O)OC)F |
| Title of publication | Divergent Reactivity of Amino Acid Alkyl Ester Hydrochlorides with 2-Oxoaldehydes: Role of Selenium Dioxide To Promote Regioselective Synthesis of Imidazoles. |
| Authors of publication | Padala, Anil K.; Kumar, Raju Ranjith; Athimoolam, S.; Ahmed, Qazi Naveed |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 1 |
| Pages of publication | 96 - 99 |
| a | 14.3558 ± 0.0014 Å |
| b | 4.7227 ± 0.0004 Å |
| c | 24.973 ± 0.002 Å |
| α | 90° |
| β | 105.882 ± 0.004° |
| γ | 90° |
| Cell volume | 1628.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1071 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175825 (current) | 2016-02-04 | cif/ Updating files of 1540746 Original log message: Adding full bibliography for 1540746.cif. |
1540746.cif |
| 171837 | 2016-01-01 | cif/ Adding structures of 1540746 via cif-deposit CGI script. |
1540746.cif |
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Users of the data should acknowledge the original authors of the
structural data.