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Information card for entry 2242155
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| Coordinates | 2242155.cif |
|---|---|
| Structure factors | 2242155.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(Pyridin-3-ylethynyl)-2,2'-bipyridine |
|---|---|
| Formula | C17 H11 N3 |
| Calculated formula | C17 H11 N3 |
| SMILES | n1c(cc(cc1)C#Cc1cnccc1)c1ncccc1 |
| 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 | 3.7436 ± 0.0003 Å |
| b | 34.146 ± 0.003 Å |
| c | 10.7528 ± 0.0009 Å |
| α | 90° |
| β | 94.799 ± 0.008° |
| γ | 90° |
| Cell volume | 1369.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 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 | 0.0924 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.2025 |
| Weighted residual factors for all reflections included in the refinement | 0.2083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| 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. |
2242155.cif 2242155.hkl |
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