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Information card for entry 2006170
Preview
| Coordinates | 2006170.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-(4-chlorobenzyl)-2-(1H-imidazol-1-ylmethyl)aniline |
|---|---|
| Formula | C17 H16 Cl N3 |
| Calculated formula | C17 H16 Cl N3 |
| SMILES | Clc1ccc(CNc2c(cccc2)Cn2cncc2)cc1 |
| Title of publication | The Antifungal Agent 1-[2-(4-Chlorobenzylamino)benzyl]-1<i>H</i>-imidazole |
| Authors of publication | Ettorre, Alessandro; Biava, Mariangela; Fioravanti, Rossella; Porretta, Giulio Cesare |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 6 |
| Pages of publication | 761 - 762 |
| a | 11.065 ± 0.001 Å |
| b | 5.614 ± 0.002 Å |
| c | 24.225 ± 0.002 Å |
| α | 90° |
| β | 90.728 ± 0.006° |
| γ | 90° |
| Cell volume | 1504.7 ± 0.6 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 significantly intense reflections | 0.0441 |
| Weighted residual factors for all reflections | 0.1531 |
| Weighted residual factors for significantly intense reflections | 0.1531 |
| Goodness-of-fit parameter for all reflections | 0.657 |
| Goodness-of-fit parameter for significantly intense reflections | 0.657 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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