Information card for entry 2005458
| Chemical name |
4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) |
| Formula |
C23 H18 N2 O3 |
| Calculated formula |
C23 H18 N2 O3 |
| SMILES |
Oc1ccc(C(=O)c2ccc(O)cc2)cc1.c1(ccncc1)c1ccncc1 |
| Title of publication |
Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3) |
| Authors of publication |
Coupar, P. I.; Ferguson, G.; Glidewell, C. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1996 |
| Journal volume |
52 |
| Journal issue |
10 |
| Pages of publication |
2524 - 2528 |
| a |
25.559 ± 0.002 Å |
| b |
7.0926 ± 0.0007 Å |
| c |
22.138 ± 0.002 Å |
| α |
90° |
| β |
110.792 ± 0.008° |
| γ |
90° |
| Cell volume |
3751.8 ± 0.6 Å3 |
| Cell temperature |
294 ± 1 K |
| Ambient diffraction temperature |
294 ± 1 K |
| Number of distinct elements |
4 |
| 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 |
0.1775 |
| Residual factor for significantly intense reflections |
0.0706 |
| Weighted residual factors for all reflections |
0.1513 |
| Weighted residual factors for significantly intense reflections |
0.1251 |
| Goodness-of-fit parameter for all reflections |
0.951 |
| Goodness-of-fit parameter for significantly intense reflections |
1.273 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MolybdenumKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2005458.html
