Information card for entry 2240647

Structure parameters

• Common name: DL-methionine
• Chemical name: 2-Amino-4-(methylsulfanyl)butanoic acid
• Formula: C5 H11 N O2 S
• Calculated formula: C5 H11 N O2 S
• SMILES: S(CCC([NH3+])C(=O)[O-])C
• Title of publication: Redetermined crystal structure of β-<small>DL</small>-methionine at 320K
• Authors of publication: Görbitz, Carl Henrik; Paulsen, Jan Christian; Borgersen, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o398 - o399
• a: 31.774 ± 0.002 Å
• b: 4.6969 ± 0.0003 Å
• c: 9.8939 ± 0.0007 Å
• α: 90°
• β: 91.224 ± 0.002°
• γ: 90°
• Cell volume: 1476.22 ± 0.17 ų
• Cell temperature: 320 ± 2 K
• Ambient diffraction temperature: 320 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes