Information card for entry 2233829
Chemical name |
2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one |
Formula |
C18 H19 N O4 |
Calculated formula |
C18 H19 N O4 |
SMILES |
O=C1c2c(NC(C1)c1c(OC)cc(OC)c(OC)c1)cccc2 |
Title of publication |
2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one |
Authors of publication |
Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chantrapromma, Kan; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
o664 - o665 |
a |
10.7354 ± 0.0011 Å |
b |
17.1525 ± 0.0016 Å |
c |
8.6471 ± 0.0008 Å |
α |
90° |
β |
102.981 ± 0.002° |
γ |
90° |
Cell volume |
1551.6 ± 0.3 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.119 |
Residual factor for significantly intense reflections |
0.0629 |
Weighted residual factors for significantly intense reflections |
0.1275 |
Weighted residual factors for all reflections included in the refinement |
0.1557 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
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/2233829.html