Information card for entry 8106253

Structure parameters

• Formula: C14 H12 Br N O3
• Calculated formula: C14 H12 Br N O3
• Title of publication: The crystal structure of 7-bromo-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid an intermediate of the ozenoxacin synthesis, C14H12BrNO3
• Authors of publication: Yang, Xiao-Li; Qian, Xu; Cao, Rui; Xu, Hao; Wang, Qi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 667 - 668
• a: 8.4134 ± 0.0005 Å
• b: 9.5365 ± 0.0006 Å
• c: 9.6154 ± 0.0007 Å
• α: 60.728 ± 0.002°
• β: 83.13 ± 0.002°
• γ: 66.331 ± 0.002°
• Cell volume: 613.52 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0709
• 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: No