Information card for entry 2228518
Chemical name |
1-Acetyl-2-r,6-c-bis(4-chlorophenyl)-3-methyl-1,2,5,6-tetrahydropyridin-4-yl acetate |
Formula |
C22 H21 Cl2 N O3 |
Calculated formula |
C22 H21 Cl2 N O3 |
SMILES |
Clc1ccc([C@@H]2N(C(=O)C)[C@@H](CC(=C2C)OC(=O)C)c2ccc(Cl)cc2)cc1.Clc1ccc([C@H]2N(C(=O)C)[C@H](CC(=C2C)OC(=O)C)c2ccc(Cl)cc2)cc1 |
Title of publication |
1-Acetyl-2-<i>r</i>,6-<i>c</i>-bis(4-chlorophenyl)-3-methyl-1,2,5,6-tetrahydropyridin-4-yl acetate |
Authors of publication |
Vimalraj, V.; Pandiarajan, K. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3259 |
a |
16.56 ± 0.003 Å |
b |
14.809 ± 0.003 Å |
c |
10.241 ± 0.002 Å |
α |
90° |
β |
124.27 ± 0.03° |
γ |
90° |
Cell volume |
2075.5 ± 1 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
9 |
Hermann-Mauguin space group symbol |
C 1 c 1 |
Hall space group symbol |
C -2yc |
Residual factor for all reflections |
0.0485 |
Residual factor for significantly intense reflections |
0.037 |
Weighted residual factors for significantly intense reflections |
0.0931 |
Weighted residual factors for all reflections included in the refinement |
0.1002 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
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/2228518.html