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Information card for entry 2244034
Preview
| Coordinates | 2244034.cif |
|---|---|
| Structure factors | 2244034.hkl |
| Original IUCr paper | HTML |
| Common name | Ciprofloxacin chloride–3,5-hydroxybenzoic acid–water (1/1/1) |
|---|---|
| Chemical name | 4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium chloride–3,5-hydroxybenzoic acid–water (1/1/1) |
| Formula | C24 H27 Cl F N3 O8 |
| Calculated formula | C24 H27 Cl F N3 O8 |
| SMILES | [Cl-].Fc1cc2c(=O)c(C(=O)O)cn(c2cc1N1CC[NH2+]CC1)C1CC1.OC(=O)c1cc(O)cc(O)c1.O |
| 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 | 7.2165 ± 0.0002 Å |
| b | 8.8298 ± 0.0004 Å |
| c | 10.1184 ± 0.0003 Å |
| α | 92.997 ± 0.003° |
| β | 95.219 ± 0.002° |
| γ | 111.557 ± 0.004° |
| Cell volume | 594.6 ± 0.04 Å3 |
| Cell temperature | 93.15 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| 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. |
2244034.cif 2244034.hkl |
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Users of the data should acknowledge the original authors of the
structural data.