Information card for entry 7207430

Structure parameters

• Formula: C15 H9 F6 N O
• Calculated formula: C15 H9 F6 N O
• SMILES: c1(cccc(c1)C(F)(F)F)C(=O)Nc1cccc(c1)C(F)(F)F
• Title of publication: Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides
• Authors of publication: Panini, Piyush; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1972
• a: 12.059 ± 0.005 Å
• b: 12.54 ± 0.005 Å
• c: 8.884 ± 0.005 Å
• α: 90°
• β: 91.804 ± 0.005°
• γ: 90°
• Cell volume: 1342.8 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1001
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No