Information card for entry 2011490

Structure parameters

• Common name: norfloxacin dihydrate
• Chemical name: 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7(1-piperzinyl)-3-quinolinecarboxylic acid
• Formula: C16 H22 F N3 O5
• Calculated formula: C16 H22 F N3 O5
• SMILES: Fc1cc2c(=O)c(cn(c2cc1N1CC[NH2+]CC1)CC)C(=O)[O-].O.O
• Title of publication: Norfloxacin dihydrate
• Authors of publication: Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; Wright, Elaine; Al-Rubayi, Ayad
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1372 - 1373
• a: 8.265 ± 0.003 Å
• b: 21.698 ± 0.004 Å
• c: 9.525 ± 0.0017 Å
• α: 90°
• β: 110.794 ± 0.019°
• γ: 90°
• Cell volume: 1596.9 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1753
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes