Information card for entry 7217410

Structure parameters

• Chemical name: TW-1-R38 2-(2-pyridyl)-imidazole, 1,4-diiodotetrafluorobenzene
• Formula: C14 H7 F4 I2 N3
• Calculated formula: C14 H7 F4 I2 N3
• Title of publication: The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions
• Authors of publication: Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 7218
• a: 9.392 ± 0.0005 Å
• b: 10.5244 ± 0.0006 Å
• c: 17.4011 ± 0.001 Å
• α: 106.841 ± 0.002°
• β: 92.19 ± 0.002°
• γ: 106.005 ± 0.002°
• Cell volume: 1569.34 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216666
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No