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Information card for entry 2021049
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| Coordinates | 2021049.cif |
|---|---|
| Structure factors | 2021049.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1-(Pyrazin-2-yl)ethylidene]hydrazine |
|---|---|
| Formula | C6 H8 N4 |
| Calculated formula | C6 H8 N4 |
| SMILES | N/N=C(C)/c1nccnc1 |
| Title of publication | [1-(Pyrazin-2-yl)ethylidene]hydrazine: a new multitopic ligand for the design of hybrid molecular frameworks |
| Authors of publication | Kassim, Muhammad Arif; Yassin, Ubaidullah H. M.; Tan, Ai Ling; Usman, Anwar; Hamid, Malai Haniti S. A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| a | 6.9312 ± 0.0002 Å |
| b | 14.6542 ± 0.0005 Å |
| c | 7.1239 ± 0.0003 Å |
| α | 90° |
| β | 114.011 ± 0.001° |
| γ | 90° |
| Cell volume | 660.97 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206836 (current) | 2018-03-08 | cif/ hkl/ Adding structures of 2021049 via cif-deposit CGI script. |
2021049.cif 2021049.hkl |
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