Information card for entry 7220561

Structure parameters

• Chemical name: epsilon glycine-d5
• Formula: C2 D5 N O2
• Calculated formula: C2 D5 N O2
• SMILES: O=C([O-])C([N+]([2H])([2H])[2H])([2H])[2H]
• Title of publication: How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine
• Authors of publication: Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 5315
• a: 4.8695 ± 0.0004 Å
• b: 5.7118 ± 0.0003 Å
• c: 5.4416 ± 0.0004 Å
• α: 90°
• β: 117.468 ± 0.006°
• γ: 90°
• Cell volume: 134.289 ± 0.018 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Cell measurement pressure: 4.275 ± 0.015 kPa
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Goodness-of-fit parameter for all reflections: 1.409
• Method of determination: powder diffraction
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No