Information card for entry 2241117

Structure parameters

• Common name: (2<i>R</i>)-1-[(Methylsulfonyl)oxy]propan-2-aminium chloride
• Chemical name: (2<i>R</i>)-2-Azaniumylpropyl methanesulfonate chloride
• Formula: C4 H12 Cl N O3 S
• Calculated formula: C4 H12 Cl N O3 S
• SMILES: C[C@@H]([NH3+])COS(=O)(=O)C.[Cl-]
• Title of publication: Crystal structure of (2<i>R</i>)-1-[(methylsulfonyl)oxy]propan-2-aminium chloride: a chiral molecular salt
• Authors of publication: Rajegowda, H. R.; Palakshamurthy, B. S.; Lokanath, N. K.; Naveen, S.; Raghavendra Kumar, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o733 - o734
• a: 5.4012 ± 0.0001 Å
• b: 8.2178 ± 0.0002 Å
• c: 10.2713 ± 0.0002 Å
• α: 90°
• β: 94.534 ± 0.001°
• γ: 90°
• Cell volume: 454.475 ± 0.016 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes