Information card for entry 2205625

Structure parameters

• Common name: DL-methionine
• Chemical name: DL-methionine
• Formula: C5 H11 N O2 S
• Calculated formula: C5 H11 N O2 S
• SMILES: S(CCC([NH3+])C(=O)[O-])C
• Title of publication: β-<small>DL</small>-Methionine at 105 K
• Authors of publication: M. Alagar; R. V. Krishnakumar; A. Mostad; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1165 - o1167
• a: 9.877 ± 0.002 Å
• b: 4.6915 ± 0.001 Å
• c: 32.603 ± 0.006 Å
• α: 90°
• β: 106.25 ± 0.01°
• γ: 90°
• Cell volume: 1450.4 ± 0.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes