Information card for entry 2023161

Structure parameters

• Chemical name: <i>L</i>-Glycyl-<i>L</i>-methionine
• Formula: C7 H14 N2 O3 S
• Calculated formula: C7 H14 N2 O3 S
• Title of publication: Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.
• Authors of publication: Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 725 - 728
• a: 6.2517 ± 0.0002 Å
• b: 5.4935 ± 0.0002 Å
• c: 14.5686 ± 0.0006 Å
• α: 90°
• β: 91.147 ± 0.004°
• γ: 90°
• Cell volume: 500.24 ± 0.03 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No