Information card for entry 2007104
| Chemical name |
1-(3,4-dichloro)phenyl-4-(2-thiophenyl)-5,5-dicarbethoxy pyrrolidine-2-one |
| Formula |
C20 H19 Cl2 N O5 S |
| Calculated formula |
C20 H19 Cl2 N O5 S |
| SMILES |
Clc1cc(N2C(=O)CC(C2(C(=O)OCC)C(=O)OCC)c2sccc2)ccc1Cl |
| Title of publication |
Diethyl 1-(3,4-Dichlorophenyl)-5-oxo-3-(2-thienyl)-2,2-pyrrolidinedicarboxylate |
| Authors of publication |
Ray, Jayanta Kumar; Chakraborty, Arindam; Adhikari, Sujit Das; Chinnakali, Kandasamy; Fun, Hoong-Kun |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Journal issue |
3 |
| Pages of publication |
368 - 370 |
| a |
10.441 ± 0.001 Å |
| b |
10.772 ± 0.001 Å |
| c |
11.079 ± 0.001 Å |
| α |
87.95 ± 0.01° |
| β |
75.16 ± 0.01° |
| γ |
62.9 ± 0.01° |
| Cell volume |
1067.5 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.091 |
| Residual factor for significantly intense reflections |
0.053 |
| Weighted residual factors for all reflections |
0.141 |
| Weighted residual factors for significantly intense reflections |
0.119 |
| Goodness-of-fit parameter for all reflections |
1.015 |
| Goodness-of-fit parameter for significantly intense reflections |
1.1 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2007104.html
