Information card for entry 7052131

Structure parameters

• Chemical name: 1-[(1R,2S,5R)‒(‒)‒menthoxymethyl]-3-ethylimidazolium chloride hemihydrate
• Formula: C16 H30 Cl N2 O1.5
• Calculated formula: C16 H29 Cl N2 O1.5
• SMILES: [Cl-].O([C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C[n+]1ccn(CC)c1.O
• 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: 13.0143 ± 0.0014 Å
• b: 8.0671 ± 0.0008 Å
• c: 17.9287 ± 0.0018 Å
• α: 90°
• β: 103.636 ± 0.002°
• γ: 90°
• Cell volume: 1829.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No