Single-crystal structure analysis of non-deuterated triglycine sulfate by neutron diffraction at 20 and 298 K: a new disorder model for the 298 K structure.

ABSTRACT: Precise single-crystal structure analyses of the title compound, bis-(glycinium) sulfate-glycine (1/1), 2C₂H₆NO₂ ⁺·SO₄ ^2-·C₂H₅NO₂ (or C₆H₁₇N₃O₁₀S), non-deuterated triglycine sulfate (HTGS) at 20 K and 298 K were undertaken using time-of-flight neutron diffraction data. At 20 K for the O-H⋯O hydrogen bond between the glycinium cation and the zwitterionic, unprotonated glycine mol-ecule that is associated with the ferroelectric behaviour of HTGS, O-H = 1.070 (3), H⋯O = 1.408 (3) [δ = 0.338 (4)], O⋯O = 2.4777 (15) Å and O-H⋯O = 179.0 (4)°, which is in good agreement with previous studies. Two reasonable structures for the same three atoms were refined

SUBMITTER: Terasawa Y 

PROVIDER: S-EPMC8900510 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature