Information card for entry 7245087

Structure parameters

• Common name: bis-pentafluorbenzamide N-phenylbenzamide
• Chemical name: '2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide N-phenylbenzamide'
• Formula: C26 H12 F10 N2 O2
• Calculated formula: C26 H12 F10 N2 O2
• SMILES: C(=O)(c1ccccc1)Nc1ccccc1.C(=O)(c1c(c(c(c(c1F)F)F)F)F)Nc1c(c(c(c(c1F)F)F)F)F
• Title of publication: Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal
• Authors of publication: Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.58 ± 0.007 Å
• b: 5.8 ± 0.004 Å
• c: 20.624 ± 0.017 Å
• α: 90°
• β: 91.13 ± 0.03°
• γ: 90°
• Cell volume: 1145.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No