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Information card for entry 7240152
Preview
| Coordinates | 7240152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Ciprofloxacin Hydrochloride Anhydrous Form II |
|---|---|
| Chemical name | Ciprofloxacin Hydrochloride Anhydrous Form II |
| Formula | C17 H19 Cl F N3 O3 |
| Calculated formula | C17 H19 Cl F N3 O3 |
| SMILES | [Cl-].c1(cc2c(cc1N1CC[NH2+]CC1)N(C=C(C2=O)C(=O)O)C1CC1)F |
| Title of publication | Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data |
| Authors of publication | Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 12.4523 ± 0.0002 Å |
| b | 6.91819 ± 0.00013 Å |
| c | 19.4137 ± 0.0004 Å |
| α | 90° |
| β | 101.294 ± 0.0009° |
| γ | 90° |
| Cell volume | 1640.05 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Ambient diffracton pressure | 101.3 kPa |
| Number of distinct elements | 6 |
| 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240152.cif |
| 249598 | 2020-03-21 | cif/ Adding structures of 7240151, 7240152, 7240153 via cif-deposit CGI script. |
7240152.cif |
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Users of the data should acknowledge the original authors of the
structural data.