Information card for entry 8107642

Structure parameters

• Common name: 4-bromo-1H-imidazole
• Formula: C3 H3 Br N2
• Calculated formula: C3 H3 Br N2
• Title of publication: Crystal structure of 4-bromo-1H-imidazole, at 200 K, C3H3BrN2
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 1
• Pages of publication: 27 - 28
• a: 3.9398 ± 0.0002 Å
• b: 12.5823 ± 0.0006 Å
• c: 9.8199 ± 0.0004 Å
• α: 90°
• β: 106.934 ± 0.002°
• γ: 90°
• Cell volume: 465.68 ± 0.04 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0758
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No