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Information card for entry 2244230
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| Coordinates | 2244230.cif |
|---|---|
| Structure factors | 2244230.hkl |
| Original IUCr paper | HTML |
| Common name | Nadifloxacin–oxalic acid (2/1) |
|---|---|
| Chemical name | 9-Fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline-2-carboxylic acid–oxalic acid (2/1) |
| Formula | C20 H22 F N2 O6 |
| Calculated formula | C20 H22 F N2 O6 |
| Title of publication | Co-crystal of nadifloxacin with oxalic acid. |
| Authors of publication | Karthammaiah, Geethanjali N.; Rao Amaraneni, Sreenivasa; Solomon, Anand K. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 319 - 322 |
| a | 8.8187 ± 0.0004 Å |
| b | 9.6963 ± 0.0004 Å |
| c | 12.3804 ± 0.0006 Å |
| α | 100.099 ± 0.002° |
| β | 97.556 ± 0.002° |
| γ | 109.858 ± 0.002° |
| Cell volume | 959.16 ± 0.08 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0775 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1845 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283591 (current) | 2023-05-06 | cif/ Updating files of 2244230 Original log message: Adding full bibliography for 2244230.cif. |
2244230.cif 2244230.hkl |
| 281863 | 2023-03-14 | cif/ hkl/ Adding structures of 2244230 via cif-deposit CGI script. |
2244230.cif 2244230.hkl |
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Users of the data should acknowledge the original authors of the
structural data.