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Information card for entry 2311646
Preview
| Coordinates | 2311646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | NF m-OH-benzoate |
|---|---|
| Formula | C23 H26 F N3 O7 |
| Calculated formula | C23 H26 F N3 O7 |
| SMILES | Fc1cc2C(=O)C(C(=O)O)=CN(c2cc1N1CC[NH2+]CC1)CC.[O-]C(=O)c1cc(O)ccc1.O |
| Title of publication | Supramolecular structures and physicochemical properties of norfloxacin salts. |
| Authors of publication | Xu, Yun; Jiang, Linglei; Mei, Xuefeng |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | Pt 4 |
| Pages of publication | 750 - 760 |
| a | 8.0761 ± 0.0002 Å |
| b | 14.7184 ± 0.0003 Å |
| c | 18.777 ± 0.0004 Å |
| α | 90° |
| β | 99.269 ± 0.001° |
| γ | 90° |
| Cell volume | 2202.83 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311646.cif |
| 246069 | 2019-12-26 | cif/ Adding structures of 2311644, 2311645, 2311646, 2311647, 2311648, 2311649, 2311650 via cif-deposit CGI script. |
2311646.cif |
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Users of the data should acknowledge the original authors of the
structural data.