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Information card for entry 2244033
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| Coordinates | 2244033.cif |
|---|---|
| Structure factors | 2244033.hkl |
| Original IUCr paper | HTML |
| Common name | Ciprofloxacin 2,6-Dihydroxybenzoate |
|---|---|
| Chemical name | 4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2,6-dihydroxybenzoate |
| Formula | C24 H24 F N3 O7 |
| Calculated formula | C24 H24 F N3 O7 |
| SMILES | Fc1cc2c(=O)c(C(=O)O)cn(c2cc1N1CC[NH2+]CC1)C1CC1.[O-]C(=O)c1c(O)cccc1O |
| Title of publication | Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids |
| Authors of publication | Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 3 |
| a | 7.9722 ± 0.0005 Å |
| b | 21.2705 ± 0.0011 Å |
| c | 13.086 ± 0.0007 Å |
| α | 90° |
| β | 101.805 ± 0.006° |
| γ | 90° |
| Cell volume | 2172.1 ± 0.2 Å3 |
| Cell temperature | 93.15 K |
| Ambient diffraction temperature | 93.15 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 | 0.0641 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272550 (current) | 2022-02-04 | cif/ hkl/ Adding structures of 2244033, 2244034 via cif-deposit CGI script. |
2244033.cif 2244033.hkl |
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Users of the data should acknowledge the original authors of the
structural data.