Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240784
Preview
| Coordinates | 2240784.cif |
|---|---|
| Structure factors | 2240784.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Ethyl-5-iodoindolin-2-one |
|---|---|
| Formula | C10 H10 I N O |
| Calculated formula | C10 H10 I N O |
| SMILES | Ic1cc2c(N(CC)C(=O)C2)cc1 |
| Title of publication | Crystal structure of 1-ethyl-5-iodoindolin-2-one |
| Authors of publication | Zhang, Man; Shen, Yu-Xiang; Fang, Qi; Wang, Lei; Li, Da-Zhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 712 - 715 |
| a | 4.4622 ± 0.0001 Å |
| b | 8.2664 ± 0.0002 Å |
| c | 27.44 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1012.16 ± 0.04 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0496 |
| Weighted residual factors for all reflections included in the refinement | 0.0499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240784.cif 2240784.hkl |
| 137443 | 2015-05-28 | cif/ hkl/ Adding structures of 2240784 via cif-deposit CGI script. |
2240784.cif 2240784.hkl |
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.