Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519898
Preview
Coordinates | 1519898.cif |
---|
Chemical name | N-(2-iodophenyl)acetamide |
---|---|
Formula | C8 H8 I N O |
Calculated formula | C8 H8 I N O |
SMILES | c1(c(cccc1)I)NC(=O)C |
Title of publication | N-(2-iodophenyl)acetamide |
Authors of publication | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 1363 |
a | 4.7969 ± 0.0001 Å |
b | 12.4977 ± 0.0003 Å |
c | 14.679 ± 0.0003 Å |
α | 90° |
β | 98.336 ± 0.001° |
γ | 90° |
Cell volume | 870.71 ± 0.03 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0194 |
Residual factor for significantly intense reflections | 0.0184 |
Weighted residual factors for significantly intense reflections | 0.0444 |
Weighted residual factors for all reflections included in the refinement | 0.0449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/1519898.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.