Information card for entry 8000098

Structure parameters

• Formula: C8 H15 I N2
• Calculated formula: C8 H15 I N2
• SMILES: [I-].n1(c[n+](cc1)C)CCCC
• Title of publication: Crystal Structure of 1-Butyl-3-methylimidazolium Iodide
• Authors of publication: Nakakoshi, Masamichi; Shiro, Motoo; Fujimoto, Takashi; Machinami, Tomoya; Seki, Hiroko; Tashiro, Mitsuru; Nishikawa, Keiko
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 1400
• a: 8.2806 ± 0.0003 Å
• b: 10.7885 ± 0.0003 Å
• c: 11.9985 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1071.89 ± 0.06 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No