Information card for entry 7249384

Structure parameters

• Common name: (NISucc)2(o-bipy)
• Chemical name: Bis(N-iodosuccinimide)(2,2'-bipyridine)
• Formula: C18 H16 I2 N4 O4
• Calculated formula: C18 H16 I2 N4 O4
• 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: 21.488 ± 0.002 Å
• b: 10.0888 ± 0.0008 Å
• c: 9.4428 ± 0.0009 Å
• α: 90°
• β: 90.324 ± 0.003°
• γ: 90°
• Cell volume: 2047.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0213
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No