Information card for entry 1567607

Structure parameters

• Chemical name: 1-Methyl-5-nitroimidazolium chloride
• Formula: C4 H6 Cl N3 O2
• Calculated formula: C4 H6 Cl N3 O2
• Title of publication: 1-Methyl-5-nitroimidazolium chloride
• Authors of publication: Bellia, Sophia; Anderson, Grace; Zeller, Matthias; Mirjafari, Arsalan; Hillesheim, Patrick C.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 9
• Pages of publication: x220878
• a: 6.3498 ± 0.0005 Å
• b: 9.8991 ± 0.0009 Å
• c: 11.5969 ± 0.001 Å
• α: 90°
• β: 105.817 ± 0.003°
• γ: 90°
• Cell volume: 701.35 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.98 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0715
• 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