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Information card for entry 2241836
Preview
| Coordinates | 2241836.cif |
|---|---|
| Structure factors | 2241836.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[2-(2,5-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-2<i>H</i>-indazole |
|---|---|
| Formula | C20 H16 Cl2 N2 O2 |
| Calculated formula | C20 H16 Cl2 N2 O2 |
| SMILES | Clc1c(COC(c2occc2)Cn2nc3c(c2)cccc3)cc(Cl)cc1 |
| Title of publication | Crystal structure of 2-[2-(2,5-dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-2<i>H</i>-indazole |
| Authors of publication | Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 10 |
| Pages of publication | 1377 - 1379 |
| a | 7.7318 ± 0.0003 Å |
| b | 9.6675 ± 0.0004 Å |
| c | 12.8299 ± 0.0005 Å |
| α | 76.511 ± 0.004° |
| β | 76.157 ± 0.004° |
| γ | 73.928 ± 0.003° |
| Cell volume | 880.3 ± 0.06 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186178 (current) | 2016-09-06 | cif/ hkl/ Adding structures of 2241836 via cif-deposit CGI script. |
2241836.cif 2241836.hkl |
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Users of the data should acknowledge the original authors of the
structural data.