Information card for entry 7217209

Structure parameters

• Chemical name: N-methylacetamide
• Formula: C3 H7 N O
• Calculated formula: C3 H7 N O
• Title of publication: Orthogonal halogen and hydrogen bonds involving a peptide bond model
• Authors of publication: Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 8102
• a: 9.6481 ± 0.0012 Å
• b: 6.3391 ± 0.0008 Å
• c: 7.1825 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 439.28 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No