Information card for entry 4512831

Structure parameters

• Common name: tribromoimidazole
• Chemical name: 2,4,5-tribromo-1H-imidazole
• Formula: C3 H Br3 N2
• Calculated formula: C3 H Br3 N2
• Title of publication: Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles
• Authors of publication: Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1658
• a: 10.1305 ± 0.0005 Å
• b: 16.7094 ± 0.001 Å
• c: 4.0483 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 685.27 ± 0.06 ų
• Cell temperature: 296 ± 0.1 K
• Ambient diffraction temperature: 296 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No