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Information card for entry 2311281
Preview
| Coordinates | 2311281.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (1<i>E</i>,1'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis[(pyridin-2-yl)methanimine] |
|---|---|
| Formula | C14 H14 N4 |
| Calculated formula | C14 H14 N4 |
| SMILES | c1cnc(cc1)/C=N/CC/N=C/c1ncccc1 |
| Title of publication | Crystal structure of (1E,1'E)-N,N'-(ethane-1,2-di-yl)bis-[(pyridin-2-yl)methanimine]. |
| Authors of publication | Abdoh, Muneer; Warad, Ismail; Naveen, S.; Lokanath, N. K.; Salghi, Rachid |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | Pt 6 |
| Pages of publication | o431 |
| a | 19.347 ± 0.005 Å |
| b | 5.9339 ± 0.0012 Å |
| c | 13.165 ± 0.002 Å |
| α | 90° |
| β | 122.266 ± 0.008° |
| γ | 90° |
| Cell volume | 1278 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311281.cif |
| 245754 | 2019-12-25 | cif/ Adding structures of 2311281 via cif-deposit CGI script. |
2311281.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.