Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551659
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1551659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 N4 O4 S |
---|---|
Calculated formula | C19 H18 N4 O4 S |
SMILES | S(=O)(=O)(Nc1cc(on1)C)c1ccc(cc1)N.Oc1c2ncccc2ccc1 |
Title of publication | The Crystal Structure of Entrapped 8-Hydroxyquinoline Molecules in an Interleaved Hydrogen Bonded Zigzag Channel of Sulfamethoxazole Molecules |
Authors of publication | Marfo-OWUSU, Emmanuel; THOMPSON, Amber L. |
Journal of publication | X-ray Structure Analysis Online |
Year of publication | 2014 |
Journal volume | 30 |
Journal issue | 0 |
Pages of publication | 51 |
a | 6.7665 ± 0.0001 Å |
b | 14.7037 ± 0.0002 Å |
c | 18.1671 ± 0.0003 Å |
α | 90° |
β | 91.933 ± 0.0008° |
γ | 90° |
Cell volume | 1806.46 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.045 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for all reflections | 0.094 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9855 |
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/1551659.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.