Information card for entry 2240077

Structure parameters

• Common name: <i>DL</i>-methionine
• Chemical name: 2-Amino-4-(methylsulfanyl)butanoic acid
• Formula: C5 H11 N O2 S
• Calculated formula: C5 H11 N O2 S
• Title of publication: Redetermined crystal structure of α-<small>DL</small>-methionine at 340K
• Authors of publication: Görbitz, Carl Henrik; Qi, Lianglin; Mai, Ngan Thi Kim; Kristiansen, Håvard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 337 - 340
• a: 16.811 ± 0.005 Å
• b: 4.7281 ± 0.0014 Å
• c: 9.886 ± 0.003 Å
• α: 90°
• β: 101.95 ± 0.007°
• γ: 90°
• Cell volume: 768.8 ± 0.4 ų
• Cell temperature: 340 ± 2 K
• Ambient diffraction temperature: 340 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes