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Information card for entry 2239779
Preview
Coordinates | 2239779.cif |
---|---|
Structure factors | 2239779.hkl |
Original IUCr paper | HTML |
Chemical name | Ethyl (2<i>S</i>*,2'<i>R</i>*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate |
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Formula | C22 H19 Cl N2 O4 S |
Calculated formula | C22 H19 Cl N2 O4 S |
SMILES | Clc1cc2[C@]3(N(C[C@H]([C@]43Sc3ccccc3C4=O)C(=O)OCC)C)C(=O)Nc2cc1.Clc1cc2[C@@]3(N(C[C@@H]([C@@]43Sc3ccccc3C4=O)C(=O)OCC)C)C(=O)Nc2cc1 |
Title of publication | Crystal structures of ethyl (2<i>S</i>*,2'<i>R</i>*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate and ethyl (2<i>S</i>*,2'<i>R</i>*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate |
Authors of publication | Savithri, M. P.; Suresh, M.; Raghunathan, R.; Vimala, G.; Raja, R.; SubbiahPandi, A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 8 |
Pages of publication | 94 - 97 |
a | 10.4678 ± 0.0005 Å |
b | 10.9074 ± 0.0005 Å |
c | 11.5652 ± 0.0005 Å |
α | 85.973 ± 0.002° |
β | 65.612 ± 0.002° |
γ | 62.089 ± 0.002° |
Cell volume | 1050.25 ± 0.09 Å3 |
Cell 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 | 0.0463 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2239779.html
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