Information card for entry 7052130

Structure parameters

• Chemical name: 1-[(1R,2S,5R)-(-)-menthoxymethyl]-3-methylimidazolium chloride hydrate
• Formula: C15 H29 Cl N2 O2
• Calculated formula: C15 H29 Cl N2 O2
• SMILES: [Cl-].O.O([C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C[n+]1ccn(C)c1
• Title of publication: Synthesis and properties of chiral imidazolium ionic liquids with a (1R,2S,5R)-(?)-menthoxymethyl substituent
• Authors of publication: Juliusz Pernak; Joanna Feder-Kubis; Anna Cieniecka-Rosłonkiewicz; Cedric Fischmeister; Scott T. Griffin; Robin D. Rogers
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 879
• a: 8.2722 ± 0.0011 Å
• b: 11.2447 ± 0.0016 Å
• c: 37.776 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3513.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No