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Information card for entry 2019957
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| Coordinates | 2019957.cif |
|---|---|
| Structure factors | 2019957.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 6-bromo-2-[(<i>E</i>)-2-phenylethenyl]quinoline-4-carboxylate |
|---|---|
| Formula | C20 H16 Br N O2 |
| Calculated formula | C20 H16 Br N O2 |
| SMILES | Brc1ccc2nc(cc(c2c1)C(=O)OCC)/C=C/c1ccccc1 |
| Title of publication | Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate |
| Authors of publication | Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o121 |
| a | 14.0819 ± 0.0007 Å |
| b | 9.747 ± 0.0005 Å |
| c | 24.0399 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3299.6 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019957.cif 2019957.hkl |
| 136871 | 2015-05-18 | cif/ hkl/ Adding structures of 2019957 via cif-deposit CGI script. |
2019957.cif 2019957.hkl |
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Users of the data should acknowledge the original authors of the
structural data.