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Information card for entry 2241627
Preview
| Coordinates | 2241627.cif |
|---|---|
| Structure factors | 2241627.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,2-Bis[(1<i>H</i>-imidazol-2-yl)methylidene]hydrazine |
|---|---|
| Formula | C8 H8 N6 |
| Calculated formula | C8 H8 N6 |
| SMILES | c1cnc(C=NN=Cc2[nH]ccn2)[nH]1 |
| Title of publication | Crystal structure of 1,2-bis[(1<i>H</i>-imidazol-2-yl)methylidene]hydrazine and its one-dimensional hydrogen-bonding network |
| Authors of publication | Lee, Chia-Hwa; Lee, Gene-Hsiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 556 - 558 |
| a | 5.0618 ± 0.0003 Å |
| b | 14.6282 ± 0.0008 Å |
| c | 6.1294 ± 0.0004 Å |
| α | 90° |
| β | 106.321 ± 0.002° |
| γ | 90° |
| Cell volume | 435.56 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241627.cif 2241627.hkl |
| 181917 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241627.cif 2241627.hkl |
| 180670 | 2016-04-01 | cif/ hkl/ Adding structures of 2241627 via cif-deposit CGI script. |
2241627.cif 2241627.hkl |
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Users of the data should acknowledge the original authors of the
structural data.