Information card for entry 2221914
Chemical name |
4-(4-Methoxyphenyl)-1-phenylpyridine-2,6(1<i>H</i>,3<i>H</i>)-dione |
Formula |
C18 H15 N O3 |
Calculated formula |
C18 H15 N O3 |
SMILES |
O=C1N(c2ccccc2)C(=O)CC(=C1)c1ccc(OC)cc1 |
Title of publication |
4-(4-Methoxyphenyl)-1-phenylpyridine-2,6(1<i>H</i>,3<i>H</i>)-dione |
Authors of publication |
Das, Ushati; Chheda, Shardul B.; Pednekar, Suhas R.; Karambelkar, Narendra P.; Guru Row, T. N. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
6 |
Pages of publication |
o1319 |
a |
7.4652 ± 0.0005 Å |
b |
9.0885 ± 0.0007 Å |
c |
11.1181 ± 0.0008 Å |
α |
77.384 ± 0.001° |
β |
88.747 ± 0.002° |
γ |
77.493 ± 0.001° |
Cell volume |
718.4 ± 0.09 Å3 |
Cell temperature |
292 ± 2 K |
Ambient diffraction temperature |
292 ± 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 |
0.0506 |
Residual factor for significantly intense reflections |
0.0399 |
Weighted residual factors for significantly intense reflections |
0.1001 |
Weighted residual factors for all reflections included in the refinement |
0.1054 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.905 |
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/2221914.html