Information card for entry 2010431

Structure parameters

• Formula: C7 H13 N3 O3
• Calculated formula: C7 H13 N3 O3
• SMILES: O=C(N[C@H](C(=O)N)C)CNC(=O)C
• Title of publication: N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide
• Authors of publication: Puliti, Raffaella; Mattia, Carlo Andrea
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 336 - 339
• a: 8.189 ± 0.003 Å
• b: 5.047 ± 0.001 Å
• c: 11.305 ± 0.005 Å
• α: 90°
• β: 96.12 ± 0.02°
• γ: 90°
• Cell volume: 464.6 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.033
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Duplicate of: 2003186
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No