Information card for entry 2221608
Chemical name |
4,4,5,5-Tetramethyl-2-[4-(2-pyridyl)phenyl]-3,4-dihydroimidazole-1-oxyl-3-oxide |
Formula |
C18 H20 N3 O2 |
Calculated formula |
C18 H20 N3 O2 |
SMILES |
c1(c2ccc(C3=N(C(C(C)(C)[N]3=O)(C)C)=O)cc2)ccccn1 |
Title of publication |
4,4,5,5-Tetramethyl-2-[4-(2-pyridyl)phenyl]-3,4-dihydroimidazole-1-oxyl-3-oxide |
Authors of publication |
Qin, Xiang-Yang; Wang, Ping-An; Sun, Xiao-Li |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o1031 |
a |
8.515 ± 0.0017 Å |
b |
22.286 ± 0.005 Å |
c |
9.136 ± 0.0018 Å |
α |
90° |
β |
109.45 ± 0.03° |
γ |
90° |
Cell volume |
1634.8 ± 0.7 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.1187 |
Residual factor for significantly intense reflections |
0.0698 |
Weighted residual factors for significantly intense reflections |
0.1278 |
Weighted residual factors for all reflections included in the refinement |
0.1463 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.094 |
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/2221608.html