Information card for entry 2233237

Structure parameters

• Chemical name: <i>N</i>-(2,3,4-Trifluorophenyl)morpholine-4-carboxamide
• Formula: C11 H11 F3 N2 O2
• Calculated formula: C11 H11 F3 N2 O2
• SMILES: O=C(N1CCOCC1)Nc1ccc(c(c1F)F)F
• Title of publication: <i>N</i>-(2,3,4-Trifluorophenyl)morpholine-4-carboxamide
• Authors of publication: Jie, Li; Shuchen, Pei; Li, Hai; Yong, Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o13
• a: 7.8515 ± 0.0004 Å
• b: 17.8264 ± 0.0006 Å
• c: 8.6872 ± 0.0004 Å
• α: 90°
• β: 109.79 ± 0.005°
• γ: 90°
• Cell volume: 1144.08 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0552
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes