Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7058445
Preview
Coordinates | 7058445.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-(4-(5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl)phenyl)ethan-1-one |
---|---|
Formula | C15 H10 F3 N3 O |
Calculated formula | C15 H10 F3 N3 O |
Title of publication | Efficient synthesis and preliminary biological evaluations of trifluoromethylated imidazo[1,2-a]pyrimidines and benzimidazo[1,2-a]pyrimidines |
Authors of publication | Jismy, Badr; Akssira, Mohamed; Knez, Damijan; Guillaumet, Gérald; Gobec, Stanislav; Abarbri, Mohamed |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 25 |
Pages of publication | 9961 |
a | 13.2871 ± 0.0006 Å |
b | 7.3989 ± 0.0004 Å |
c | 14.157 ± 0.001 Å |
α | 90° |
β | 104.735 ± 0.007° |
γ | 90° |
Cell volume | 1346 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1194 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1229 |
Weighted residual factors for all reflections included in the refinement | 0.1778 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/7058445.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.