Information card for entry 2217848

Structure parameters

• Common name: [C3mpyr][Cl]
• Chemical name: 1-Methyl-1-propylpyrrolidinium chloride
• Formula: C8 H18 Cl N
• Calculated formula: C8 H18 Cl N
• SMILES: [Cl-].[N+]1(CCCC1)(C)CCC
• Title of publication: 1-Methyl-1-propylpyrrolidinium chloride
• Authors of publication: Dean, Pamela M.; Pringle, Jennifer M.; MacFarlane, Douglas R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o637
• a: 14.5863 ± 0.0005 Å
• b: 13.2196 ± 0.0004 Å
• c: 9.9779 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.99 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes