Information card for entry 2218034

Structure parameters

• Chemical name: 2-Fluoroanilinium N-(2-fluorophenyl)oxamate
• Formula: C14 H12 F2 N2 O3
• Calculated formula: C14 H12 F2 N2 O3
• SMILES: c1(c(cccc1)F)NC(=O)C(=O)[O-].c1(c(cccc1)[NH3+])F
• Title of publication: 2-Fluoroanilinium <i>N</i>-(2-fluorophenyl)oxamate
• Authors of publication: Büyükgüngör, Orhan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o808
• a: 6.7118 ± 0.0009 Å
• b: 9.5998 ± 0.0014 Å
• c: 11.7 ± 0.0016 Å
• α: 68.346 ± 0.011°
• β: 85.791 ± 0.011°
• γ: 77.375 ± 0.011°
• Cell volume: 683.69 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0744
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes