Information card for entry 2207158
| Chemical name |
2,9-dimethyl-l,10-phenanthroline dihydrate |
| Formula |
C14 H16 N2 O2 |
| Calculated formula |
C14 H16 N2 O2 |
| SMILES |
O.O.n1c(ccc2ccc3ccc(nc3c12)C)C |
| Title of publication |
A second monoclinic polymorph of 2,9-dimethyl-1,10-phenanthroline dihydrate |
| Authors of publication |
Köroglu, Ahmet; Bulut, Ahmet; Uçar, Ibrahim; Nichol, Gary S.; Harrington, Ross W.; Clegg, William |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2005 |
| Journal volume |
61 |
| Journal issue |
11 |
| Pages of publication |
o3723 - o3725 |
| a |
22.942 ± 0.002 Å |
| b |
6.7388 ± 0.0007 Å |
| c |
17.9594 ± 0.0018 Å |
| α |
90° |
| β |
116.019 ± 0.002° |
| γ |
90° |
| Cell volume |
2495.1 ± 0.4 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 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 |
0.0746 |
| Residual factor for significantly intense reflections |
0.0622 |
| Weighted residual factors for significantly intense reflections |
0.1478 |
| Weighted residual factors for all reflections included in the refinement |
0.1541 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.223 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2207158.html
