Information card for entry 2221508
Chemical name |
2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid |
Formula |
C10 H10 N4 O4 |
Calculated formula |
C10 H10 N4 O4 |
SMILES |
OC(=O)Cn1c(ncc1)c1n(ccn1)CC(=O)O |
Title of publication |
2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid |
Authors of publication |
Zhang, Tingting; Zhang, Tao; Ren, Yingtao; Liang, Hongze |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o904 |
a |
8.4327 ± 0.0017 Å |
b |
15.116 ± 0.003 Å |
c |
16.702 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2129 ± 0.7 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0378 |
Residual factor for significantly intense reflections |
0.0324 |
Weighted residual factors for significantly intense reflections |
0.0823 |
Weighted residual factors for all reflections included in the refinement |
0.0856 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
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/2221508.html