Information card for entry 7201201

Structure parameters

• Formula: C14 H19 I N2
• Calculated formula: C14 H19 I N2
• SMILES: [I-].n1(Cc2ccccc2)c(C)[n+](CCC)cc1
• Title of publication: The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts
• Authors of publication: Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2456
• a: 8.232 ± 0.002 Å
• b: 9.316 ± 0.002 Å
• c: 10.209 ± 0.003 Å
• α: 86.158 ± 0.005°
• β: 84.638 ± 0.005°
• γ: 64.69 ± 0.004°
• Cell volume: 704.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No