Information card for entry 2209762
Chemical name |
1-{[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2,6- dimethylphenyl)aminocarbonylmethyl]piperazine |
Formula |
C23 H26 Br N5 O2 |
Calculated formula |
C23 H26 Br N5 O2 |
SMILES |
Brc1ccc(c2nc(on2)CN2CCN(CC(=O)Nc3c(cccc3C)C)CC2)cc1 |
Title of publication |
1-{[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine |
Authors of publication |
Wang, Hai-Bo; Liu, Zhi-Qian; Yan, Xiao-Chen |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
8 |
Pages of publication |
o3465 - o3466 |
a |
7.2 ± 0.0014 Å |
b |
9.53 ± 0.0019 Å |
c |
33.089 ± 0.007 Å |
α |
90° |
β |
94.71 ± 0.03° |
γ |
90° |
Cell volume |
2262.8 ± 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/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.1687 |
Residual factor for significantly intense reflections |
0.09 |
Weighted residual factors for significantly intense reflections |
0.219 |
Weighted residual factors for all reflections included in the refinement |
0.2642 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.968 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2209762.html