Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8000259
Preview
Coordinates | 8000259.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | N-Benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide |
---|---|
Formula | C16 H16 N4 O |
Calculated formula | C16 H16 N4 O |
Title of publication | Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates |
Authors of publication | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller |
Journal of publication | Bioorganic & Medicinal Chemistry Letters |
Year of publication | 2014 |
Journal volume | 24 |
Pages of publication | 3493 - 3498 |
a | 9.3005 ± 0.0008 Å |
b | 6.6121 ± 0.0005 Å |
c | 11.8267 ± 0.001 Å |
α | 90° |
β | 106.276 ± 0.001° |
γ | 90° |
Cell volume | 698.14 ± 0.1 Å3 |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1275 |
Weighted residual factors for all reflections included in the refinement | 0.1306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
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/8000259.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.