Information card for entry 2207397
Chemical name |
1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]4-{[3-(3-methoxyphenyl)- 1,2,4-oxadiazol-5-yl]methyl}piperazine |
Formula |
C24 H29 N5 O3 |
Calculated formula |
C24 H29 N5 O3 |
SMILES |
O(C)c1cccc(c1)c1noc(n1)CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C |
Title of publication |
1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine |
Authors of publication |
Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
11 |
Pages of publication |
o3750 - o3751 |
a |
17.12 ± 0.003 Å |
b |
10.271 ± 0.002 Å |
c |
13.042 ± 0.003 Å |
α |
90° |
β |
91.1 ± 0.03° |
γ |
90° |
Cell volume |
2292.9 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.157 |
Residual factor for significantly intense reflections |
0.0574 |
Weighted residual factors for significantly intense reflections |
0.1365 |
Weighted residual factors for all reflections included in the refinement |
0.181 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.949 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2207397.html