Information card for entry 2210639
Chemical name |
2-{2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}- N-(2,6-dimethylphenyl)acetamide |
Formula |
C24 H20 Cl N3 O3 |
Calculated formula |
C24 H20 Cl N3 O3 |
SMILES |
Clc1ccc(c2nc(on2)c2c(OCC(=O)Nc3c(C)cccc3C)cccc2)cc1 |
Title of publication |
2-{2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-<i>N</i>-(2,6-dimethylphenyl)acetamide |
Authors of publication |
Ding, Wei-Lin; Xing, Zhi-Tao; Liu, Zhi-Qian; Wang, Hai-Bo |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
10 |
Pages of publication |
o4744 - o4745 |
a |
12.498 ± 0.003 Å |
b |
8.241 ± 0.0016 Å |
c |
20.996 ± 0.004 Å |
α |
90° |
β |
93.21 ± 0.03° |
γ |
90° |
Cell volume |
2159.1 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
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 |
0.1299 |
Residual factor for significantly intense reflections |
0.0637 |
Weighted residual factors for significantly intense reflections |
0.1344 |
Weighted residual factors for all reflections included in the refinement |
0.16 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.001 |
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/2210639.html