Information card for entry 2000142

Structure parameters

• Formula: C5 H8 N2 O2
• Calculated formula: C5 H8 N2 O2
• Title of publication: Structure of β-ammoniumpropionitrile hemifumarate
• Authors of publication: Fawcett, S. M.; Sawyer, L.; Blake, A. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 2569 - 2572
• a: 5.163 ± 0.002 Å
• b: 23.472 ± 0.013 Å
• c: 5.458 ± 0.003 Å
• α: 90°
• β: 97.08 ± 0.04°
• γ: 90°
• Cell volume: 656.4 ± 0.6 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No