Information card for entry 2208422
Chemical name |
N,N'-Bis(3,5-dimethyl-1H-pyrazol-1-ylmethyl)piperazine |
Formula |
C16 H26 N6 |
Calculated formula |
C16 H26 N6 |
SMILES |
Cc1cc(nn1CN1CCN(CC1)Cn1nc(cc1C)C)C |
Title of publication |
<i>N</i>,<i>N</i>'-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-ylmethyl)piperazine |
Authors of publication |
Abdeljalil, El Fatmi; Najib, Ben Larbi; Abdelali, Kerbal; El Bali, Brahim; Bolte, Michael |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
3 |
Pages of publication |
o1103 - o1104 |
a |
9.6944 ± 0.0009 Å |
b |
12.1761 ± 0.0011 Å |
c |
13.7141 ± 0.0012 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1618.8 ± 0.3 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
3 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0411 |
Residual factor for significantly intense reflections |
0.0345 |
Weighted residual factors for significantly intense reflections |
0.0971 |
Weighted residual factors for all reflections included in the refinement |
0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
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/2208422.html