Information card for entry 2210217
Chemical name |
2-[3-Acetyl-5-(3,6-dichloropyridin-2-yl)-2,3-dihydro-1,3,4-oxadiazol- 2-yl]phenyl acetate |
Formula |
C17 H13 Cl2 N3 O4 |
Calculated formula |
C17 H13 Cl2 N3 O4 |
SMILES |
Clc1c(nc(Cl)cc1)C1=NN(C(O1)c1c(OC(=O)C)cccc1)C(=O)C |
Title of publication |
2-[3-Acetyl-5-(3,6-dichloropyridin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate |
Authors of publication |
Song, Qing-Bao; Zhang, Jie; Tiekink, Edward R. T. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
9 |
Pages of publication |
o4115 - o4117 |
a |
11.839 ± 0.004 Å |
b |
7.917 ± 0.003 Å |
c |
19.255 ± 0.007 Å |
α |
90° |
β |
105.658 ± 0.006° |
γ |
90° |
Cell volume |
1737.8 ± 1.1 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
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 |
0.041 |
Residual factor for significantly intense reflections |
0.04 |
Weighted residual factors for significantly intense reflections |
0.115 |
Weighted residual factors for all reflections included in the refinement |
0.116 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.16 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2210217.html