Information card for entry 7249386

Structure parameters

• Common name: (NISacc)2(p-bipy)
• Chemical name: bis(N-iodosaccharin)(4,4'-bipyridine)
• Formula: C24 H16 I2 N4 O6 S2
• Calculated formula: C24 H16 I2 N4 O6 S2
• Title of publication: N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin
• Authors of publication: Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 42
• Pages of publication: 6075 - 6081
• a: 8.6873 ± 0.0009 Å
• b: 9.2187 ± 0.001 Å
• c: 16.9914 ± 0.0016 Å
• α: 90°
• β: 105.954 ± 0.003°
• γ: 90°
• Cell volume: 1308.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No