Information card for entry 7203856

Structure parameters

• Common name: N,N-Dimethylformamide
• Formula: C3 H7 N O
• Calculated formula: C3 H7 N O
• SMILES: O=CN(C)C
• Title of publication: The crystal and liquid structures of N,N-dimethylthioformamide and N,N-dimethylformamide showing a stronger hydrogen bonding effect for C–H · · · S than for C–H · · · O †
• Authors of publication: Borrmann, Horst; Persson, Ingmar; Sandström, Magnus; Stlhandske, Christina M. V.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 393
• a: 5.9455 ± 0.0009 Å
• b: 7.0042 ± 0.001 Å
• c: 10.4041 ± 0.0019 Å
• α: 77.238 ± 0.013°
• β: 88.132 ± 0.014°
• γ: 75.28 ± 0.012°
• Cell volume: 408.56 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No