Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249821
Preview
| Coordinates | 7249821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Prop-2-yn-1-yl 7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate |
|---|---|
| Formula | C15 H11 Cl F N O3 |
| Calculated formula | C15 H11 Cl F N O3 |
| Title of publication | 1,2,3-Triazole-tethered fluoroquinolone analogues with antibacterial potential: synthesis and in vitro cytotoxicity investigations |
| Authors of publication | Patel, Upendra Kumar; Alka,; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1896 - 1914 |
| a | 14.9992 ± 0.0002 Å |
| b | 9.5502 ± 0.0001 Å |
| c | 20.3352 ± 0.0002 Å |
| α | 90° |
| β | 100.192 ± 0.001° |
| γ | 90° |
| Cell volume | 2866.96 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297433 (current) | 2025-01-23 | cif/ Adding structures of 7249821 via cif-deposit CGI script. |
7249821.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.