Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106252
Preview
Coordinates | 8106252.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H10 I2 N2 O4 |
---|---|
Calculated formula | C14 H10 I2 N2 O4 |
SMILES | Ic1cc(/C=N/c2ccc(OC)cc2N(=O)=O)c(O)c(I)c1 |
Title of publication | Crystal structure of (E)-4,6-diiodo-2-(((4-methoxy-2-nitrophenyl)imino)methyl)-3-methylphenol, C14H10I2N2O4 |
Authors of publication | Hong, Yong |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 4 |
Pages of publication | 665 - 666 |
a | 9.2216 ± 0.0004 Å |
b | 9.7072 ± 0.0005 Å |
c | 10.0628 ± 0.0005 Å |
α | 61.778 ± 0.002° |
β | 77.716 ± 0.002° |
γ | 79.144 ± 0.002° |
Cell volume | 771.49 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0212 |
Residual factor for significantly intense reflections | 0.0184 |
Weighted residual factors for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections included in the refinement | 0.0542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
279558 (current) | 2022-11-25 | cif/ Adding structures of 8106252 via cif-deposit CGI script. |
8106252.cif |
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.