Information card for entry 1569883

Structure parameters

• Common name: 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
• Chemical name: 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
• Formula: C7 H14 Br N3
• Calculated formula: C7 H14 Br N3
• Title of publication: 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
• Authors of publication: Maynard, Aaron; Keller, Taylor M.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• a: 8.1283 ± 0.0002 Å
• b: 21.3822 ± 0.0007 Å
• c: 8.6376 ± 0.0002 Å
• α: 90°
• β: 101.713 ± 0.003°
• γ: 90°
• Cell volume: 1469.96 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No