Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021390
Preview
Coordinates | 2021390.cif |
---|---|
Structure factors | 2021390.hkl |
Original IUCr paper | HTML |
Chemical name | 6-Hydroxy-<i>N</i>-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide |
---|---|
Formula | C19 H16 N2 O4 |
Calculated formula | C19 H16 N2 O4 |
SMILES | O=C1N2c3c(cccc3C(O)=C1C(=O)Nc1ccc(OC)cc1)CC2 |
Title of publication | Polymorphic modifications of a 1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide possessing strong diuretic properties |
Authors of publication | Shishkina, Svitlana V.; Levandovskiy, Igor A.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Grinevich, Lina A.; Yanchuk, Igor B. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 12 |
a | 7.1048 ± 0.0019 Å |
b | 10.0882 ± 0.0016 Å |
c | 11.5171 ± 0.0017 Å |
α | 73.761 ± 0.017° |
β | 87.27 ± 0.02° |
γ | 76.48 ± 0.02° |
Cell volume | 770.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1438 |
Residual factor for significantly intense reflections | 0.0881 |
Weighted residual factors for significantly intense reflections | 0.2308 |
Weighted residual factors for all reflections included in the refinement | 0.262 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2021390.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.