Information card for entry 2219486
Common name |
5,5'-Dibromo-2,2'-[1,1'-(2,2'-dimethyl-propane-1,3-diyldinitrilo)methylidyne] diphenol |
Chemical name |
<i>N</i>,<i>N</i>'-Bis(5-bromo-2-hydroxybenzylidene)-2,2-dimethylpropane- 1,3-diamine |
Formula |
C19 H20 Br2 N2 O2 |
Calculated formula |
C19 H20 Br2 N2 O2 |
SMILES |
Brc1ccc(O)c(c1)/C=N/CC(C/N=C/c1cc(Br)ccc1O)(C)C |
Title of publication |
<i>N</i>,<i>N</i>'-Bis(5-bromo-2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine |
Authors of publication |
Fun, Hoong-Kun; Kia, Reza; Kargar, Hadi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
10 |
Pages of publication |
o1895 - o1896 |
a |
31.7684 ± 0.001 Å |
b |
6.2436 ± 0.0002 Å |
c |
38.7287 ± 0.0011 Å |
α |
90° |
β |
99.87 ± 0.002° |
γ |
90° |
Cell volume |
7568.1 ± 0.4 Å3 |
Cell temperature |
100 ± 0.1 K |
Ambient diffraction temperature |
100 ± 0.1 K |
Number of distinct elements |
5 |
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 |
0.0952 |
Residual factor for significantly intense reflections |
0.0433 |
Weighted residual factors for significantly intense reflections |
0.0832 |
Weighted residual factors for all reflections included in the refinement |
0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
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/2219486.html