Information card for entry 2201744

Structure parameters

• Chemical name: 4,5-Dibromo-1-methyl-1H-imidazole
• Formula: C4 H4 Br2 N2
• Calculated formula: C4 H4 Br2 N2
• SMILES: Brc1n(cnc1Br)C
• Title of publication: 4,5-Dibromo-1-methyl-1<i>H</i>-imidazole
• Authors of publication: Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o458 - o460
• a: 7.449 ± 0.002 Å
• b: 7.537 ± 0.002 Å
• c: 12.403 ± 0.003 Å
• α: 73.47 ± 0.03°
• β: 79.92 ± 0.03°
• γ: 85.45 ± 0.03°
• Cell volume: 656.9 ± 0.3 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes