Information card for entry 2012004
Chemical name |
3-amino-2,4 dicyano-5-ethyl-4'- N,N diethyl amino Biphenyl |
Formula |
C20 H22 N4 |
Calculated formula |
C20 H22 N4 |
SMILES |
Nc1c(c(c2ccc(N(CC)CC)cc2)cc(c1C#N)CC)C#N |
Title of publication |
3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(<i>N</i>,<i>N</i>-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile |
Authors of publication |
Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2001 |
Journal volume |
57 |
Journal issue |
6 |
Pages of publication |
723 - 725 |
a |
10.8918 ± 0.0002 Å |
b |
10.3458 ± 0.0002 Å |
c |
16.5707 ± 0.0002 Å |
α |
90° |
β |
101.496 ± 0.001° |
γ |
90° |
Cell volume |
1829.8 ± 0.05 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.1397 |
Residual factor for significantly intense reflections |
0.0605 |
Weighted residual factors for all reflections included in the refinement |
0.1449 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2012004.html