Information card for entry 2230718
Chemical name |
2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione |
Formula |
C21 H15 N3 O4 |
Calculated formula |
C21 H15 N3 O4 |
SMILES |
O=C(C(=NNc1ccc(N(=O)=O)cc1)C(=O)c1ccccc1)c1ccccc1 |
Title of publication |
2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione |
Authors of publication |
Bustos, Carlos; Alvarez-Thon, Luis; Barría, Daniela; Garland, Maria Teresa; Sánchez, Christian |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1587 |
a |
8.2994 ± 0.0007 Å |
b |
8.625 ± 0.0007 Å |
c |
25.018 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1790.8 ± 0.3 Å3 |
Cell temperature |
150 K |
Ambient diffraction temperature |
150 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0394 |
Residual factor for significantly intense reflections |
0.0338 |
Weighted residual factors for significantly intense reflections |
0.0807 |
Weighted residual factors for all reflections included in the refinement |
0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.998 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2230718.html