Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7230098
Preview
Coordinates | 7230098.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-oxindole |
---|---|
Chemical name | indolin-2-one |
Formula | C8 H7 N O |
Calculated formula | C8 H7 N O |
Title of publication | Polymorphs of oxindole as the core structures in bioactive compounds |
Authors of publication | Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 12 |
Pages of publication | 1739 |
a | 5.6075 ± 0.0001 Å |
b | 13.0331 ± 0.0003 Å |
c | 14.8275 ± 0.0003 Å |
α | 114.825 ± 0.002° |
β | 100.483 ± 0.002° |
γ | 91.664 ± 0.002° |
Cell volume | 960.32 ± 0.04 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7230098.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.