Information card for entry 7103775

Structure parameters

• Common name: 1-butyl-3-methylimidazolium chloride
• Chemical name: 1-butyl-3-methylimidazolium chloride
• Formula: C8 H15 Cl N2
• Calculated formula: C8 H15 Cl N2
• SMILES: [Cl-].n1(c[n+](cc1)C)CCCC
• Title of publication: Crystal polymorphism in 1-butyl-3-methlimidazolium halides: supporting ionic liquid formation by inhibition of crystallisation
• Authors of publication: John D. Holbrey; W. Matthew Reichert; Mark Nieuwenhuyzen; Suzanne Johnson; Kenneth R. Seddon; Robin D., Rogers
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 10.113 ± 0.002 Å
• b: 11.411 ± 0.002 Å
• c: 8.3285 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 961.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No