Information card for entry 2013979

Structure parameters

• Common name: Enoxacin
• Chemical name: 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine- 3-carboxylic acid trihydrate
• Formula: C15 H23 F N4 O6
• Calculated formula: C15 H23 F N4 O6
• SMILES: Fc1cc2c(=O)c(cn(c2nc1N1CC[NH2+]CC1)CC)C(=O)[O-].O.O.O
• Title of publication: Enoxacin trihydrate
• Authors of publication: Parvez, Masood; Arayne, Saeed; Sultana, Najma; Siddiqi, Ahsan Zamir
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o281 - o283
• a: 13.618 ± 0.003 Å
• b: 7.2963 ± 0.0013 Å
• c: 18.316 ± 0.005 Å
• α: 90°
• β: 108.282 ± 0.012°
• γ: 90°
• Cell volume: 1728 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes