Information card for entry 2233386
Chemical name |
(1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4- chlorobenzylidene)cyclohexane-1,2-diamine |
Formula |
C20 H20 Cl2 N2 |
Calculated formula |
C20 H20 Cl2 N2 |
SMILES |
Clc1ccc(cc1)/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccc(Cl)cc1 |
Title of publication |
(1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)cyclohexane-1,2-diamine |
Authors of publication |
Arvinnezhad, Hamid; Jadidi, Khosrow; Notash, Behrouz |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
o407 - o408 |
a |
5.5058 ± 0.0011 Å |
b |
15.734 ± 0.003 Å |
c |
21.302 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1845.4 ± 0.6 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0726 |
Residual factor for significantly intense reflections |
0.0537 |
Weighted residual factors for significantly intense reflections |
0.1045 |
Weighted residual factors for all reflections included in the refinement |
0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.125 |
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/2233386.html