Information card for entry 2232432
Chemical name |
Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate |
Formula |
C17 H16 N2 O6 |
Calculated formula |
C17 H16 N2 O6 |
SMILES |
O=C(OC)c1c(nc(c(c1c1ccccc1N(=O)=O)C(=O)OC)C)C |
Title of publication |
Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate |
Authors of publication |
Zheng, Juanjuan; Wang, Xueyuan; Pang, Dongying; Sun, Yan; Su, Wei |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
11 |
Pages of publication |
o2820 |
a |
7.578 ± 0.004 Å |
b |
8.141 ± 0.004 Å |
c |
14.235 ± 0.009 Å |
α |
103.32 ± 0.02° |
β |
93.75 ± 0.05° |
γ |
105.39 ± 0.03° |
Cell volume |
816.4 ± 0.8 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0601 |
Residual factor for significantly intense reflections |
0.0379 |
Weighted residual factors for significantly intense reflections |
0.0858 |
Weighted residual factors for all reflections included in the refinement |
0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
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/2232432.html