Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232193
Preview
Coordinates | 2232193.cif |
---|---|
Structure factors | 2232193.hkl |
Original IUCr paper | HTML |
Chemical name | 3'-(4-Chlorobenzoyl)-4'-(4-chlorophenyl)-1'-methylspiro[indoline-3,2'- pyrrolidin]-2-one |
---|---|
Formula | C25 H20 Cl2 N2 O2 |
Calculated formula | C25 H20 Cl2 N2 O2 |
SMILES | Clc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[C@]3(c4c(NC3=O)cccc4)N(C2)C)cc1.Clc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@@]3(c4c(NC3=O)cccc4)N(C2)C)cc1 |
Title of publication | 3'-(4-Chlorobenzoyl)-4'-(4-chlorophenyl)-1'-methylspiro[indoline-3,2'-pyrrolidin]-2-one |
Authors of publication | Srinivasan, T.; Suhitha, S.; Purushothaman, S.; Raghunathan, R.; Velmurugan, D. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | o3128 |
a | 11.4139 ± 0.0002 Å |
b | 11.6957 ± 0.0002 Å |
c | 16.5262 ± 0.0002 Å |
α | 90° |
β | 102.037 ± 0.001° |
γ | 90° |
Cell volume | 2157.63 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0633 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.101 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/2232193.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.