Information card for entry 2230682

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-[4,4'-Methylenebis(4,1-phenylene)]bis(2,6-difluorobenzamide)
• Chemical name: <i>N</i>-{4-[4-(2,6-difluorobenzamido)benzyl]phenyl}-2,6-difluorobenzamide
• Formula: C27 H18 F4 N2 O2
• Calculated formula: C27 H18 F4 N2 O2
• SMILES: O=C(c1c(F)cccc1F)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)c1c(F)cccc1F
• Title of publication: <i>N</i>,<i>N</i>'-[4,4'-Methylenebis(4,1-phenylene)]bis(2,6-difluorobenzamide)
• Authors of publication: Al-Dajani, Mohammad T. M.; Talaat, Jamal; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1832
• a: 42.0478 ± 0.001 Å
• b: 5.298 ± 0.0001 Å
• c: 9.5643 ± 0.0002 Å
• α: 90°
• β: 92.522 ± 0.002°
• γ: 90°
• Cell volume: 2128.57 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes