Information card for entry 7250032

Structure parameters

• Formula: C14 H14 F3 I3 N2 O2
• Calculated formula: C14 H14 F3 I3 N2 O2
• Title of publication: Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes
• Authors of publication: Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 2233 - 2240
• a: 8.5467 ± 0.0004 Å
• b: 9.5605 ± 0.0005 Å
• c: 13.016 ± 0.0007 Å
• α: 93.461 ± 0.005°
• β: 95.913 ± 0.004°
• γ: 111.472 ± 0.005°
• Cell volume: 978.93 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No