Information card for entry 7248176

Structure parameters

• Chemical name: (E)-1,2-bis(2-pyridyl)ethene and pentachloroiodobenzene cocrystal
• Formula: C24 H10 Cl10 I2 N2
• Calculated formula: C24 H10 Cl10 I2 N2
• Title of publication: Achieving a series of solid-state [2 + 2] cycloaddition reactions involving 1,2-bis(2-pyridyl)ethylene within halogen-bonded co-crystals
• Authors of publication: Andren, Max; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1349 - 1352
• a: 14.3117 ± 0.0004 Å
• b: 3.9776 ± 0.0001 Å
• c: 26.9681 ± 0.0005 Å
• α: 90°
• β: 104.512 ± 0.002°
• γ: 90°
• Cell volume: 1486.21 ± 0.06 ų
• Cell temperature: 299.63 ± 0.1 K
• Ambient diffraction temperature: 299.63 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0324
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No