Information card for entry 2014576

Structure parameters

• Common name: L-Methioninium chloride
• Chemical name: (S)-1-Carboxy-3-(methylsulfanyl)propanaminium chloride
• Formula: C5 H12 Cl N O2 S
• Calculated formula: C5 H12 Cl N O2 S
• SMILES: [Cl-].S(CC[C@H]([NH3+])C(=O)O)C
• Title of publication: <small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K
• Authors of publication: Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o868 - o871
• a: 5.274 ± 0.0001 Å
• b: 7.022 ± 0.0002 Å
• c: 24.233 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 897.45 ± 0.04 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0191
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No