Information card for entry 2234356
Chemical name |
<i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide |
Formula |
C23 H23 N3 O2 |
Calculated formula |
C23 H23 N3 O2 |
SMILES |
c1(cccc(C(=O)N(CC)c2ccccc2)n1)C(=O)N(CC)c1ccccc1 |
Title of publication |
<i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide |
Authors of publication |
Klepetářová, Blanka; Makrlík, Emanuel; Babain, Vasily A.; Kašička, Václav |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
4 |
Pages of publication |
o1099 - o1100 |
a |
12.1879 ± 0.0017 Å |
b |
12.2371 ± 0.0015 Å |
c |
13.6798 ± 0.0017 Å |
α |
83.971 ± 0.01° |
β |
86.919 ± 0.011° |
γ |
87.744 ± 0.01° |
Cell volume |
2024.9 ± 0.5 Å3 |
Cell temperature |
170 K |
Ambient diffraction temperature |
170 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 |
0.1223 |
Residual factor for significantly intense reflections |
0.0586 |
Weighted residual factors for all reflections |
0.1063 |
Weighted residual factors for significantly intense reflections |
0.0618 |
Weighted residual factors for all reflections included in the refinement |
0.0618 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.1414 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2234356.html