Information card for entry 8102529

Structure parameters

• Chemical name: 2,4,5-Tribromo-1-methyl-1H-Imidazole
• Formula: C4 H3 Br3 N2
• Calculated formula: C4 H3 Br3 N2
• SMILES: n1(c(Br)nc(Br)c1Br)C
• Title of publication: Crystal structure of 2,4,5-tribromo-1-methyl-1H-imidazole, C4H3Br3N2
• Authors of publication: Tim Peppel; Martin Köckerling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 597
• a: 6.9066 ± 0.0003 Å
• b: 7.0812 ± 0.0003 Å
• c: 16.1046 ± 0.0006 Å
• α: 78.093 ± 0.002°
• β: 82.467 ± 0.002°
• γ: 89.781 ± 0.002°
• Cell volume: 763.81 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No