Information card for entry 2228818
Common name |
3,3'-(1,2-ethanediyldinitrilo)bis(2-butanone) dioxime |
Chemical name |
3,8-Dimethyl-4,7-diazadeca-3,7-diene-2,9-dione dioxime |
Formula |
C10 H18 N4 O2 |
Calculated formula |
C10 H18 N4 O2 |
SMILES |
O/N=C(/C(=N/CC/N=C(/C(=N/O)C)C)C)C |
Title of publication |
3,8-Dimethyl-4,7-diazadeca-3,7-diene-2,9-dione dioxime |
Authors of publication |
Achiwawanich, Supakit; Duangtongyou, Tanwawan; Pakawatchai, Chaveng; Siripaisarnpipat, Sutatip |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
1 |
Pages of publication |
o135 |
a |
4.4128 ± 0.0003 Å |
b |
12.8534 ± 0.0008 Å |
c |
10.486 ± 0.0007 Å |
α |
90° |
β |
90.762 ± 0.002° |
γ |
90° |
Cell volume |
594.71 ± 0.07 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/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0706 |
Residual factor for significantly intense reflections |
0.0485 |
Weighted residual factors for significantly intense reflections |
0.1205 |
Weighted residual factors for all reflections included in the refinement |
0.1316 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
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/2228818.html