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Publication Detail
Glycine zinc sulfate pentahydrate: Redetermination at 10 K from time-of-flight neutron Laue diffraction
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Article
  • Authors:
    Fortes AD, Howard CM, Wood IG, Gutmann MJ
  • Publication date:
    16/09/2016
  • Pagination:
    1438, 1445
  • Journal:
    Acta Crystallographica Section E: Crystallographic Communications
  • Volume:
    72
  • Status:
    Published
Abstract
Single crystals of glycine zinc sulfate pentahydrate [systematic name: hexaaquazinc tetraaquadiglycinezinc bis(sulfate)], [Zn(H 2 O) 6 ][Zn(C 2 H 5 NO 2 ) 2 (H 2 O) 4 ](SO 4 ) 2 , have been grown by isothermal evaporation from aqueous solution at room temperature and characterized by single-crystal neutron diffraction. The unit cell contains two unique ZnO 6 octahedra on sites of symmetry -1 and two SO 4 tetrahedra with site symmetry 1; the octahedra comprise one [tetraaqua-diglycine zinc] 2+ ion (centred on one Zn atom) and one [hexaaquazinc] 2+ ion (centred on the other Zn atom); the glycine zwitterion, NH 3 + CH 2 COO - , adopts a monodentate coordination to the first Zn atom. All other atoms sit on general positions of site symmetry 1. Glycine forms centrosymmetric closed cyclic dimers due to N - H⋯O hydrogen bonds between the amine and carboxylate groups of adjacent zwitterions and exhibits torsion angles varying from ideal planarity by no more than 1.2°, the smallest values for any known glycine zwitterion not otherwise constrained by a mirror plane. This work confirms the H-atom locations estimated in three earlier single-crystal X-ray diffraction studies with the addition of independently refined fractional coordinates and Uij parameters, which provide accurate internuclear X - H (X = N, O) bond lengths and consequently a more accurate and precise depiction of the hydrogen-bond framework.
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