Information card for entry 7249382

Structure parameters

• Common name: beta-(NIPht)2(p-bipy)
• Chemical name: Bis(N(iodophtalimide)(4,4'-bipyridine), beta phase
• Formula: C26 H16 I2 N4 O4
• Calculated formula: C26 H16 I2 N4 O4
• Title of publication: N-iodophtalimide as halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin†
• Authors of publication: Jeon, Ie-Rang; Jeannin, olivier; Robert, Antoine; Barriere, Frederic; Fourmigué, Marc
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.5392 ± 0.0008 Å
• b: 9.431 ± 0.001 Å
• c: 17.2253 ± 0.0018 Å
• α: 90°
• β: 97.896 ± 0.003°
• γ: 90°
• Cell volume: 1213.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No