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Information card for entry 2240974
Preview
| Coordinates | 2240974.cif |
|---|---|
| Structure factors | 2240974.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 4,4'-Dimethoxy-2,2'-bipyridine |
|---|---|
| Formula | C12 H12 N2 O2 |
| Calculated formula | C12 H12 N2 O2 |
| SMILES | c1cc(cc(c2cc(ccn2)OC)n1)OC |
| Title of publication | Crystal structure of 4,4'-dimethoxy-2,2'-bipyridine |
| Authors of publication | Kusano, Yukiko; Ohno, Keiji; Fujihara, Takashi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o623 - o624 |
| a | 6.4235 ± 0.0011 Å |
| b | 10.8139 ± 0.0018 Å |
| c | 8.0123 ± 0.0014 Å |
| α | 90° |
| β | 109.462 ± 0.002° |
| γ | 90° |
| Cell volume | 524.76 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
2240974.cif 2240974.hkl |
| 181909 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240974.cif 2240974.hkl |
| 153031 | 2015-08-07 | cif/ hkl/ Adding structures of 2240974 via cif-deposit CGI script. |
2240974.cif 2240974.hkl |
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.