Information card for entry 7201202

Structure parameters

• Formula: C12 H15 I N2
• Calculated formula: C12 H15 I N2
• SMILES: [I-].n1(Cc2ccccc2)c(C)[n+](C)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: 12.5337 ± 0.0001 Å
• b: 11.6484 ± 0.0001 Å
• c: 17.1447 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2503.08 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No