Information card for entry 2221829
Chemical name |
2-[3-Acetyl-5-(2-chloro-3-pyridyl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol- 2-yl]-4-fluorophenyl acetate |
Formula |
C18 H15 Cl F N3 O4 |
Calculated formula |
C18 H15 Cl F N3 O4 |
SMILES |
CC(=O)Oc1ccc(cc1C1(C)N(C(=O)C)N=C(c2cccnc2Cl)O1)F |
Title of publication |
2-[3-Acetyl-5-(2-chloro-3-pyridyl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-fluorophenyl acetate |
Authors of publication |
Qin, Quan; Xu, Li Juan; Pan, Li Fang; Chen, Shui Qing; Song, Qing Bao |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o1181 |
a |
10.12 ± 0.002 Å |
b |
13.9 ± 0.003 Å |
c |
13.32 ± 0.003 Å |
α |
90° |
β |
102.14 ± 0.03° |
γ |
90° |
Cell volume |
1831.8 ± 0.7 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.064 |
Residual factor for significantly intense reflections |
0.043 |
Weighted residual factors for significantly intense reflections |
0.107 |
Weighted residual factors for all reflections included in the refinement |
0.121 |
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 |
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https://www.crystallography.net/2221829.html