Information card for entry 2211429
Chemical name |
N-(2,6-Dimethylphenyl)-2-{2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol- 5-yl]phenoxy}acetamide |
Formula |
C25 H23 N3 O4 |
Calculated formula |
C25 H23 N3 O4 |
SMILES |
O(C)c1cccc(c1)c1noc(n1)c1ccccc1OCC(=O)Nc1c(C)cccc1C |
Title of publication |
<i>N</i>-(2,6-Dimethylphenyl)-2-{2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide |
Authors of publication |
Ding, Wei-Lin; Tan, Shu-Bo; Xing, Zhi-Tao; Wang, Pin-Liang; Wang, Hai-Bo |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
12 |
Pages of publication |
o5574 - o5575 |
a |
8.036 ± 0.0016 Å |
b |
11.692 ± 0.002 Å |
c |
12.78 ± 0.003 Å |
α |
66.93 ± 0.03° |
β |
85.56 ± 0.03° |
γ |
81.18 ± 0.03° |
Cell volume |
1091.5 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0935 |
Residual factor for significantly intense reflections |
0.0586 |
Weighted residual factors for significantly intense reflections |
0.1538 |
Weighted residual factors for all reflections included in the refinement |
0.1691 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
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/2211429.html