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Information card for entry 2242157
Preview
| Coordinates | 2242157.cif |
|---|---|
| Structure factors | 2242157.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(4-Methylphenylethynyl)-2,2'-bipyridine |
|---|---|
| Formula | C19 H14 N2 |
| Calculated formula | C19 H14 N2 |
| SMILES | c1(ccc(C#Cc2cc(ncc2)c2ncccc2)cc1)C |
| Title of publication | Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions |
| Authors of publication | Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| Pages of publication | 610 - 615 |
| a | 9.8697 ± 0.0007 Å |
| b | 12.604 ± 0.0007 Å |
| c | 22.8414 ± 0.0013 Å |
| α | 90° |
| β | 97.89 ± 0.006° |
| γ | 90° |
| Cell volume | 2814.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199130 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242155, 2242156, 2242157 via cif-deposit CGI script. |
2242157.cif 2242157.hkl |
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