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Information card for entry 2240732
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| Coordinates | 2240732.cif |
|---|---|
| Structure factors | 2240732.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate |
|---|---|
| Formula | C18 H13 F2 N O2 |
| Calculated formula | C18 H13 F2 N O2 |
| SMILES | Fc1cc(F)cc(c2nc3ccccc3c(c2)C(=O)OCC)c1 |
| Title of publication | Crystal structure of ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate |
| Authors of publication | Sunitha, V. M.; Naveen, S.; Manjunath, H. R.; Benaka Prasad, S. B.; Manivannan, V.; Lokanath, N. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o341 - o342 |
| a | 8.2674 ± 0.0003 Å |
| b | 10.0529 ± 0.0004 Å |
| c | 10.0562 ± 0.0004 Å |
| α | 101.193 ± 0.002° |
| β | 108.616 ± 0.002° |
| γ | 98.741 ± 0.002° |
| Cell volume | 756.14 ± 0.05 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240732.cif 2240732.hkl |
| 136893 | 2015-05-18 | cif/ hkl/ Adding structures of 2240732 via cif-deposit CGI script. |
2240732.cif 2240732.hkl |
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public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.