Information card for entry 7214418

Structure parameters

• Chemical name: ethylamine
• Formula: C2 H7 N
• Calculated formula: C2 H7 N
• SMILES: NCC
• Title of publication: Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines
• Authors of publication: Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3867
• a: 8.2633 ± 0.0003 Å
• b: 7.3098 ± 0.0003 Å
• c: 5.5317 ± 0.0002 Å
• α: 90°
• β: 99.088 ± 0.003°
• γ: 90°
• Cell volume: 329.94 ± 0.02 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No