Information card for entry 2204398

Structure parameters

• Common name: hydroxylethylammonium enrofloxacinate
• Chemical name: 2-hydroxyethanaminium 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline- 3-carboxylate
• Formula: C21 H29 F N4 O4
• Calculated formula: C21 H29 F N4 O4
• SMILES: Fc1cc2c(=O)c(cn(c2cc1N1CCN(CC1)CC)C1CC1)C(=O)[O-].OCC[NH3+]
• Title of publication: 2-Hydroxyethanaminium enrofloxacinate
• Authors of publication: Hong-Xiang Sun; Yuan Li; Yuan-Jiang Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1694 - o1696
• a: 9.791 ± 0.002 Å
• b: 9.858 ± 0.001 Å
• c: 12.274 ± 0.002 Å
• α: 69.12 ± 0.01°
• β: 75.74 ± 0.01°
• γ: 89.54 ± 0.01°
• Cell volume: 1068.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes