Information card for entry 2234346

Structure parameters

• Common name: 9-fluoro-2,3-dihydro-3-methyl-10-(4-methylpiperazin-1-yl)- 7-oxo-7<i>H</i>-pyrido[1,2,3-<i>ij</i>][1,2,4]benzoxadiazine-6-carboxylic acid
• Chemical name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2- diazatricyclo[7.3.1.0^5,13^]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• Formula: C17 H19 F N4 O4
• Calculated formula: C17 H19 F N4 O4
• SMILES: Fc1cc2c(=O)c(C(=O)O)cn3N(COc(c1N1CCN(CC1)C)c23)C
• Title of publication: Marbofloxacin
• Authors of publication: Shen, Jin; Qian, Jing-Jing; Gu, Jian-Ming; Hu, Xiu-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o998 - o999
• a: 8.0145 ± 0.0005 Å
• b: 8.9218 ± 0.0006 Å
• c: 13.0874 ± 0.0008 Å
• α: 91.65 ± 0.03°
• β: 99.65 ± 0.03°
• γ: 115.091 ± 0.01°
• Cell volume: 830.26 ± 0.16 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.1267
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes