Information card for entry 2231818
Chemical name |
4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol |
Formula |
C17 H18 Cl2 N2 O2 |
Calculated formula |
C17 H18 Cl2 N2 O2 |
SMILES |
C1N(CCN1Cc1cc(ccc1O)Cl)Cc1cc(ccc1O)Cl |
Title of publication |
4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol |
Authors of publication |
Rivera, Augusto; Sadat-Bernal, John; Ríos-Motta, Jaime; Pojarová, Michaela; Dušek, Michal |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
10 |
Pages of publication |
o2581 |
a |
10.864 ± 0.0002 Å |
b |
9.6125 ± 0.0002 Å |
c |
16.7242 ± 0.0004 Å |
α |
90° |
β |
106.608 ± 0.002° |
γ |
90° |
Cell volume |
1673.65 ± 0.06 Å3 |
Cell temperature |
120 K |
Ambient diffraction temperature |
120 K |
Number of distinct elements |
5 |
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 |
0.0378 |
Residual factor for significantly intense reflections |
0.0353 |
Weighted residual factors for significantly intense reflections |
0.098 |
Weighted residual factors for all reflections included in the refinement |
0.1005 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2231818.html