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Information card for entry 7216619
Preview
| Coordinates | 7216619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Ciprofloxacin indoprofen hydrate salt |
|---|---|
| Formula | C34 H35 F N4 O7 |
| Calculated formula | C34 H35 F N4 O7 |
| SMILES | C(=O)(c1c(=O)c2cc(c(cc2n(c1)C1CC1)N1CC[NH2+]CC1)F)O.C(=O)(C(c1ccc(cc1)N1C(=O)c2ccccc2C1)C)[O-].O |
| Title of publication | Drug–drug salt forms of ciprofloxacin with diflunisal and indoprofen |
| Authors of publication | Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 32 |
| Pages of publication | 7393 |
| a | 10.325 ± 0.004 Å |
| b | 12.615 ± 0.005 Å |
| c | 12.916 ± 0.005 Å |
| α | 71.51 ± 0.007° |
| β | 74.334 ± 0.007° |
| γ | 70.672 ± 0.007° |
| Cell volume | 1479.7 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1216 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7216619.cif |
| 180497 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/66. |
7216619.cif |
| 121631 | 2014-08-08 | cif/ Updating files of 7216618, 7216619 Original log message: Adding full bibliography for 7216618--7216619.cif. |
7216619.cif |
| 117676 | 2014-06-15 | cif/ Adding structures of 7216618, 7216619 via cif-deposit CGI script. |
7216619.cif |
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