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Information card for entry 2311639
Preview
| Coordinates | 2311639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | '4-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)benzonitrile' |
|---|---|
| Formula | C14 H9 N5 |
| Calculated formula | C14 H9 N5 |
| Title of publication | Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. |
| Authors of publication | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | Pt 2 |
| Pages of publication | 379 - 389 |
| a | 16.0427 ± 0.0019 Å |
| b | 5.8677 ± 0.0006 Å |
| c | 24.487 ± 0.003 Å |
| α | 90° |
| β | 92.354 ± 0.008° |
| γ | 90° |
| Cell volume | 2303.1 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0562 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246067 (current) | 2019-12-26 | cif/ Adding structures of 2311634, 2311635, 2311636, 2311637, 2311638, 2311639, 2311640, 2311641 via cif-deposit CGI script. |
2311639.cif |
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Users of the data should acknowledge the original authors of the
structural data.